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 10 Reference Ions Near m/z 817.5773
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055528 Reliable 817.5815 817.5813 ~ 817.5819
MzDiff: 2.3 ppm
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276)
Formula: C47H80NO8P (817.5621)
11.02 (75%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047726 Unreliable 817.5817 817.5817 ~ 817.5817
MzDiff: none
SM(d18:1/6 keto-PGF1alpha) (BioDeep_00000215513)
Formula: C43H81N2O10P (816.5629)
2.15 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047733 Unreliable 817.574 817.574 ~ 817.574
MzDiff: none
PA(21:0/PGF2alpha) (BioDeep_00000190473)
Formula: C44H81O11P (816.5516)
2.15 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052321 Unreliable 817.5848 817.5848 ~ 817.5848
MzDiff: none
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000191431)
Formula: C45H85O10P (816.588)
2.19 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052346 Unreliable 817.5757 817.5757 ~ 817.5757
MzDiff: none
SM(d18:1/6 keto-PGF1alpha) (BioDeep_00000215513)
Formula: C43H81N2O10P (816.5629)
2.16 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052503 Unreliable 817.5694 817.5694 ~ 817.5694
MzDiff: none
PA(21:0/PGF2alpha) (BioDeep_00000190473)
Formula: C44H81O11P (816.5516)
1.9 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000057885 Unreliable 817.5798 817.5798 ~ 817.5799
MzDiff: 0.5 ppm
PE(P-18:1(11Z)/PGE1) (BioDeep_00000185563)
Formula: C43H78NO10P (799.5363)
2.65 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065341 Unreliable 817.5798 817.5798 ~ 817.5798
MzDiff: none
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000191431)
Formula: C45H85O10P (816.588)
1.24 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000026769 Unreliable 817.5852 817.5852 ~ 817.5852
MzDiff: none
SM(d18:1/6 keto-PGF1alpha) (BioDeep_00000215513)
Formula: C43H81N2O10P (816.5629)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000055952 Unavailable 817.5824 817.5824 ~ 817.5824
MzDiff: none
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276)
Formula: C47H80NO8P (817.5621)
-0.42 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 20 Sample Hits
Metabolite Species Sample
SM(d18:1/6 keto-PGF1alpha)

Formula: C43H81N2O10P (816.5629)
Adducts: [M+H]+ (Ppm: 18.1)
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

SM(d18:1/6 keto-PGF1alpha)

Formula: C43H81N2O10P (816.5629)
Adducts: [M+H]+ (Ppm: 18.4)
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.

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PA(21:0/PGF2alpha)

Formula: C44H81O11P (816.5516)
Adducts: [M+H]+ (Ppm: 18.5)
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).

SM(d18:1/6 keto-PGF1alpha)

Formula: C43H81N2O10P (816.5629)
Adducts: [M+H]+ (Ppm: 14.2)
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).

SM(d18:1/6 keto-PGF1alpha)

Formula: C43H81N2O10P (816.5629)
Adducts: [M+H]+ (Ppm: 8.8)
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).

SM(d18:1/6 keto-PGF1alpha)

Formula: C43H81N2O10P (816.5629)
Adducts: [M+H]+ (Ppm: 6.8)
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).

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 16.4)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 3.7)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 4.9)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(P-18:1(11Z)/PGE1)

Formula: C43H78NO10P (799.5363)
Adducts: [M+NH4]+ (Ppm: 11.8)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 6.7)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 6)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 17)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 4)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 4.8)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 18.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 18.1)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 18.9)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 18.2)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description