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 8 Reference Ions Near m/z 872.535
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055591 Reliable 872.5386 872.5382 ~ 872.539
MzDiff: 3.1 ppm
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000209090)
Formula: C49H78NO10P (871.5363)
6.5 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000053299 Unreliable 872.5257 872.5257 ~ 872.5257
MzDiff: none
Avermectin (BioDeep_00000176324)
Formula: C48H72O14 (872.4922)
2.7 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000047508 Unreliable 872.5341 872.5341 ~ 872.5341
MzDiff: none
PE(DiMe(11,3)/6 keto-PGF1alpha) (BioDeep_00000209674)
Formula: C45H78NO13P (871.5211)
2.26 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047592 Unreliable 872.543 872.543 ~ 872.543
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000209090)
Formula: C49H78NO10P (871.5363)
2.22 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000065293 Unreliable 872.5376 872.5376 ~ 872.5376
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000209090)
Formula: C49H78NO10P (871.5363)
1.37 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000044061 Unreliable 872.5394 872.5394 ~ 872.5394
MzDiff: none
(3b,21b)-12-Oleanene-3,21,28-triol 28-[arabinosyl-(1->3)-arabinosyl-(1->3)-arabinoside] (BioDeep_00000022013)
Formula: C45H74O15 (854.5027)
1.67 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000028870 Unreliable 872.5421 872.5421 ~ 872.5421
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000209090)
Formula: C49H78NO10P (871.5363)
0.24 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030012 Unavailable 872.5421 872.5421 ~ 872.5421
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000209090)
Formula: C49H78NO10P (871.5363)
-0.41 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum

Found 18 Sample Hits
Metabolite Species Sample
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 1.7)
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

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 9.8)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 5.7)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

PE(DiMe(11,3)/6 keto-PGF1alpha)

Formula: C45H78NO13P (871.5211)
Adducts: [M+H]+ (Ppm: 6.6)
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).

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 4.6)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 6.6)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 6.1)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 5.1)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 4.6)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 5.7)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 3.6)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(DiMe(11,3)/6 keto-PGF1alpha)

Formula: C45H78NO13P (871.5211)
Adducts: [M+H]+ (Ppm: 12.6)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 6.7)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 6.2)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 6.4)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 5.7)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 6.9)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H]+ (Ppm: 5.5)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description