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 24 Reference Ions Near m/z 774.5483
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000057831 Reliable 774.5486 774.548 ~ 774.5489
MzDiff: 3.9 ppm
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
7.47 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043512 Reliable 774.5506 774.5501 ~ 774.551
MzDiff: 3.8 ppm
PS(18:0/18:0) (BioDeep_00000017592)
Formula: C42H82NO10P (791.5676)
6.83 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057840 Reliable 774.5475 774.5471 ~ 774.548
MzDiff: 3.7 ppm
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
6.91 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043235 Unreliable 774.5456 774.5452 ~ 774.546
MzDiff: 3.3 ppm
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
7.54 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000061547 Unreliable 774.542 774.542 ~ 774.542
MzDiff: none
Not Annotated 1.17 (0%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000011518 Unavailable 774.5422 774.5422 ~ 774.5422
MzDiff: none
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
-0.18 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000047029 Unreliable 774.5422 774.5422 ~ 774.5422
MzDiff: none
PS(15:0/20:2(11Z,14Z)) (BioDeep_00000104690)
Formula: C41H76NO10P (773.5207)
2.97 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047074 Unreliable 774.5494 774.5494 ~ 774.5494
MzDiff: none
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
2.87 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047178 Unreliable 774.5566 774.5566 ~ 774.5566
MzDiff: none
PG(18:1(9Z)/18:1(9Z)) (BioDeep_00000019289)
Formula: C42H79O10P (774.5411)
2.62 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052282 Unreliable 774.549 774.549 ~ 774.549
MzDiff: none
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
2.22 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052374 Unreliable 774.5562 774.5562 ~ 774.5562
MzDiff: none
PG(18:1(9Z)/18:1(9Z)) (BioDeep_00000019289)
Formula: C42H79O10P (774.5411)
2.13 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052382 Unreliable 774.5417 774.5417 ~ 774.5417
MzDiff: none
PS(15:0/20:2(11Z,14Z)) (BioDeep_00000104690)
Formula: C41H76NO10P (773.5207)
2.11 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000058451 Unreliable 774.5424 774.542 ~ 774.5429
MzDiff: 3.4 ppm
SM(d17:2(4E,8Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215433)
Formula: C44H75N2O7P (774.5312)
0.56 (33%) Mus musculus
[UBERON:0001950] neocortex
MSI_000065378 Unreliable 774.5464 774.5462 ~ 774.5469
MzDiff: 2.9 ppm
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
2.79 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000009791 Unavailable 774.5422 774.5422 ~ 774.5422
MzDiff: none
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
-1.66 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000006 Unreliable 774.5422 774.5422 ~ 774.5422
MzDiff: none
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
2.3 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000026859 Unreliable 774.5406 774.5406 ~ 774.5406
MzDiff: none
SM(d16:1/PGF1alpha) (BioDeep_00000215287)
Formula: C41H79N2O9P (774.5523)
1.78 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000028514 Unreliable 774.5395 774.5395 ~ 774.5395
MzDiff: none
SM(d16:1/PGF1alpha) (BioDeep_00000215287)
Formula: C41H79N2O9P (774.5523)
0.97 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028615 Unreliable 774.546 774.546 ~ 774.546
MzDiff: none
SM(d17:2(4E,8Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215433)
Formula: C44H75N2O7P (774.5312)
0.77 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030863 Unreliable 774.546 774.546 ~ 774.546
MzDiff: none
SM(d17:2(4E,8Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215433)
Formula: C44H75N2O7P (774.5312)
0.77 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030915 Unreliable 774.5395 774.5395 ~ 774.5395
MzDiff: none
SM(d16:1/PGF1alpha) (BioDeep_00000215287)
Formula: C41H79N2O9P (774.5523)
0.59 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000056268 Unavailable 774.5515 774.5515 ~ 774.5515
MzDiff: none
PC(16:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000210947)
Formula: C42H80NO9P (773.557)
-0.58 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000059805 Unavailable 774.5429 774.5429 ~ 774.5429
MzDiff: none
SM(d17:2(4E,8Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215433)
Formula: C44H75N2O7P (774.5312)
-0.6 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060928 Unavailable 774.5429 774.5429 ~ 774.5429
MzDiff: none
SM(d17:2(4E,8Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215433)
Formula: C44H75N2O7P (774.5312)
-0.56 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 42 Sample Hits
Metabolite Species Sample
SM(d16:1/PGF1alpha)

Formula: C41H79N2O9P (774.5523)
Adducts: [M]+ (Ppm: 14.4)
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.

m/z_774.5463

Formula: - (n/a)
Adducts: (Ppm: 0)
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.

SM(d17:2(4E,8Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H75N2O7P (774.5312)
Adducts: [M-H2O+NH4]+ (Ppm: 10.9)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

PS(18:0/18:0)

Formula: C42H82NO10P (791.5676)
Adducts: [M+H-H2O]+ (Ppm: 19.9)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 3.1)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 4.3)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 2.1)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

PS(18:0/18:0)

Formula: C42H82NO10P (791.5676)
Adducts: [M+H-H2O]+ (Ppm: 17.3)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 6)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 2.7)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 8)
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).

PS(18:0/18:0)

Formula: C42H82NO10P (791.5676)
Adducts: [M+H-H2O]+ (Ppm: 19)
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(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 7.5)
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).

PS(18:0/18:0)

Formula: C42H82NO10P (791.5676)
Adducts: [M+H-H2O]+ (Ppm: 16.5)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 3.6)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PC(16:0/18:1(12Z)-O(9S,10R))

Formula: C42H80NO9P (773.557)
Adducts: [M+H]+ (Ppm: 17.3)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PC(16:0/18:1(12Z)-O(9S,10R))

Formula: C42H80NO9P (773.557)
Adducts: [M+H]+ (Ppm: 16.5)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PC(16:0/18:1(12Z)-O(9S,10R))

Formula: C42H80NO9P (773.557)
Adducts: [M+H]+ (Ppm: 18.4)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 1)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 2.6)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 4.8)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

SM(d17:2(4E,8Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H75N2O7P (774.5312)
Adducts: [M-H2O+NH4]+ (Ppm: 7.9)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 6.2)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 5.7)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 4.7)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 5.1)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 6.9)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

PS(18:0/18:0)

Formula: C42H82NO10P (791.5676)
Adducts: [M+H-H2O]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 6.2)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 6.9)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PS(18:0/18:0)

Formula: C42H82NO10P (791.5676)
Adducts: [M+H-H2O]+ (Ppm: 17.8)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PS(18:0/18:0)

Formula: C42H82NO10P (791.5676)
Adducts: [M+H-H2O]+ (Ppm: 17.2)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 8.8)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 3.2)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 5.4)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 5.6)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

m/z_774.5422

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description

m/z_774.542

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (brain)
Brain02_Bregma-1-46
Resolution: 17μm, 294x399

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 4.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 4.9)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 3.9)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 5.6)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description