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 6 Reference Ions Near m/z 821.587
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058171 Reliable 821.5916 821.5914 ~ 821.5919
MzDiff: 2.1 ppm
SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215689)
Formula: C46H81N2O8P (820.573)
5.23 (44%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000052273 Unreliable 821.5775 821.5775 ~ 821.5775
MzDiff: none
Not Annotated 2.23 (%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047772 Unreliable 821.5853 821.5853 ~ 821.5853
MzDiff: none
Not Annotated 2.12 (%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000065682 Unreliable 821.5896 821.589 ~ 821.5899
MzDiff: 3.7 ppm
PS(15:0/22:1(13Z)) (BioDeep_00000104697)
Formula: C43H82NO10P (803.5676)
1.84 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000043992 Unreliable 821.5885 821.5885 ~ 821.5885
MzDiff: none
SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215689)
Formula: C46H81N2O8P (820.573)
2.07 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000058351 Unreliable 821.5896 821.5896 ~ 821.5896
MzDiff: none
PS(15:0/22:1(13Z)) (BioDeep_00000104697)
Formula: C43H82NO10P (803.5676)
1.15 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 15 Sample Hits
Metabolite Species Sample
SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C46H81N2O8P (820.573)
Adducts: [M+H]+ (Ppm: 8.2)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). 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-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). 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. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C46H81N2O8P (820.573)
Adducts: [M+H]+ (Ppm: 13.8)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+NH4]+ (Ppm: 17)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C46H81N2O8P (820.573)
Adducts: [M+H]+ (Ppm: 0.6)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

m/z_821.5853

Formula: - (n/a)
Adducts: (Ppm: )
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(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C46H81N2O8P (820.573)
Adducts: [M+H]+ (Ppm: 10.5)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO8P (803.5465)
Adducts: [M+NH4]+ (Ppm: 9.6)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C46H81N2O8P (820.573)
Adducts: [M+H]+ (Ppm: 2.6)
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).

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+NH4]+ (Ppm: 11.4)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M-H2O+NH4]+ (Ppm: 13.5)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M-H2O+NH4]+ (Ppm: 13.6)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+NH4]+ (Ppm: 14.4)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+NH4]+ (Ppm: 15.1)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+NH4]+ (Ppm: 13.5)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+NH4]+ (Ppm: 14)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description