在BioDeep NovoCell知识数据库中,参考离子总共被划分为4个级别。
  • Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
  • Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
  • Unreliable: 这个参考离子具有较高的排名价值,但缺乏可重复性。
  • Unavailable: 由于排名价值低且缺乏可重复性,这个参考离子不应用于注释。

Found 28 Reference Ions Near m/z 746.5598
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058292 Reliable 746.5633 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
8.58 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058411 Reliable 746.5633 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
8.58 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062031 Reliable 746.5633 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
8.58 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062999 Reliable 746.5633 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
8.58 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063388 Reliable 746.5633 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
8.58 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063642 Reliable 746.5633 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
8.58 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063693 Reliable 746.5633 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
8.58 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000064782 Reliable 746.5633 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
8.58 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065077 Reliable 746.5633 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
8.58 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058093 Reliable 746.5633 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
6.86 (60%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043066 Reliable 746.5632 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
3.89 (71%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043157 Reliable 746.5632 746.563 ~ 746.5637
MzDiff: 2.8 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
3.89 (71%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065144 Reliable 746.5616 746.5613 ~ 746.562
MzDiff: 3.1 ppm
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
5.66 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000020563 746.5692 746.5691 ~ 746.5693
MzDiff: 0.8 ppm
PC(15:0/18:1(9Z)) (BioDeep_00000019204)
Formula: C41H80NO8P (745.5621)
1.97 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000047298 Unreliable 746.5633 746.5633 ~ 746.5633
MzDiff: none
PC(15:0/18:1(9Z)) (BioDeep_00000019204)
Formula: C41H80NO8P (745.5621)
2.42 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047317 Unreliable 746.5564 746.5564 ~ 746.5564
MzDiff: none
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
2.4 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051814 Unreliable 746.5631 746.5631 ~ 746.5631
MzDiff: none
PC(15:0/18:1(9Z)) (BioDeep_00000019204)
Formula: C41H80NO8P (745.5621)
2.43 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051995 Unreliable 746.5563 746.5563 ~ 746.5563
MzDiff: none
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
2.36 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000021833 Unreliable 746.5694 746.5694 ~ 746.5694
MzDiff: none
PC(15:0/18:1(9Z)) (BioDeep_00000019204)
Formula: C41H80NO8P (745.5621)
0.61 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000026252 Unreliable 746.5633 746.5632 ~ 746.5634
MzDiff: 1.0 ppm
Azitromycin (BioDeep_00000177001)
Formula: C39H74N2O11 (746.5292)
3.58 (50%) Mus musculus
[UBERON:0002048] lung
MSI_000056732 Unreliable 746.5597 746.5596 ~ 746.5598
MzDiff: 0.9 ppm
PC(15:0/18:1(9Z)) (BioDeep_00000019204)
Formula: C41H80NO8P (745.5621)
2.93 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000010147 Unavailable 746.5694 746.5694 ~ 746.5694
MzDiff: none
PE(18:0/18:1) (BioDeep_00000597786)
Formula: C41H80NO8P (745.5621)
-0.45 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000022929 Unreliable 746.5694 746.5694 ~ 746.5694
MzDiff: none
PC(15:0/18:1(9Z)) (BioDeep_00000019204)
Formula: C41H80NO8P (745.5621)
0.82 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000027793 Unreliable 746.5665 746.5665 ~ 746.5665
MzDiff: none
PC(15:0/18:1(9Z)) (BioDeep_00000019204)
Formula: C41H80NO8P (745.5621)
2.04 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000028456 Unreliable 746.5669 746.5669 ~ 746.5669
MzDiff: none
SM(d17:1/18:1(12Z)-2OH(9,10)) (BioDeep_00000215370)
Formula: C40H79N2O8P (746.5574)
1.08 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029330 Unreliable 746.5669 746.5669 ~ 746.5669
MzDiff: none
SM(d17:1/18:1(12Z)-2OH(9,10)) (BioDeep_00000215370)
Formula: C40H79N2O8P (746.5574)
1.25 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000044139 Unreliable 746.5694 746.5694 ~ 746.5694
MzDiff: none
PC(15:0/18:1(9Z)) (BioDeep_00000019204)
Formula: C41H80NO8P (745.5621)
1.22 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000056094 Unavailable 746.5641 746.5641 ~ 746.5641
MzDiff: none
PC(15:0/18:1(9Z)) (BioDeep_00000019204)
Formula: C41H80NO8P (745.5621)
-0.55 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 39 Sample Hits
Metabolite Species Sample
PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 20)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

Azitromycin

Formula: C39H74N2O11 (746.5292)
Adducts: [M-H2O+NH4]+ (Ppm: 14.6)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 20)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). Ion images of (a) m/z 796.6856 ([U13C-DPPC+Na]+), (b) m/z 756.5154 [PC32:0+Na]+ and (c) m/z 765.6079 ([D9-PC32:0+Na]+). (d) Overlay image of [U13C-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 19.7)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 13.1)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 18.1)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 11.3)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 7.6)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 11.8)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 8.2)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 11.4)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 8.4)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 10.7)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 19.9)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 7.1)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 19.5)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 12.9)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 10.4)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 8.8)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 10.4)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 9.8)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 9.9)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 9.5)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 9.8)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 8)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 19.7)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 19.3)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 19.3)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 8.2)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 19.7)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 17.2)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 9.8)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H]+ (Ppm: 10.2)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 17.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 18.4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 17.5)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PC(18:2/18:2)

Formula: C44H80NO8P (781.5621)
Adducts: [M+H-2H2O]+ (Ppm: 18.1)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description