M/Z: 789.5325


Hit 3 annotations:  PA(19:0/PGF2alpha)_[M+H]+; PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))_[M+NH4]+; (S,E)-N-(4-(4-Acetylpiperazin-1-yl)benzyl)-3-(4-(tert-butyl)phenyl)-N-(1-(4-(4-cyanobenzyl)piperazin-1-yl)-1-oxo-3-phenylpropan-2-yl)acrylamide_[M+K]+


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 11 Reference Ions Near m/z 789.5325
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006548 Reliable 789.5246 789.5243 ~ 789.525
MzDiff: 2.9 ppm		 PA(19:0/PGF2alpha) (BioDeep_00000189434)
Formula: C42H77O11P (788.5203)		 6.49 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000043907 Reliable 789.5276 789.5272 ~ 789.5279
MzDiff: 2.8 ppm		 PA(19:0/PGF2alpha) (BioDeep_00000189434)
Formula: C42H77O11P (788.5203)		 10.95 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000020561 Reliable 789.5247 789.5243 ~ 789.525
MzDiff: 2.9 ppm		 PA(19:0/PGF2alpha) (BioDeep_00000189434)
Formula: C42H77O11P (788.5203)		 4.29 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000056696 Reliable 789.5264 789.5262 ~ 789.5268
MzDiff: 2.8 ppm		 PA(19:0/PGF2alpha) (BioDeep_00000189434)
Formula: C42H77O11P (788.5203)		 9.18 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047040 Unreliable 789.5399 789.5399 ~ 789.5399
MzDiff: none		 PA(19:0/PGF2alpha) (BioDeep_00000189434)
Formula: C42H77O11P (788.5203)		 2.94 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047443 Unreliable 789.5325 789.5325 ~ 789.5325
MzDiff: none		 PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000105625)
Formula: C44H70NO8P (771.4839)		 2.29 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052318 Unreliable 789.5393 789.5393 ~ 789.5393
MzDiff: none		 PA(19:0/PGF2alpha) (BioDeep_00000189434)
Formula: C42H77O11P (788.5203)		 2.19 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052472 Unreliable 789.5246 789.5246 ~ 789.5246
MzDiff: none		 Not Annotated 1.96 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052597 Unreliable 789.5319 789.5319 ~ 789.5319
MzDiff: none		 PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000105625)
Formula: C44H70NO8P (771.4839)		 1.37 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000056001 Unavailable 789.5283 789.5283 ~ 789.5283
MzDiff: none		 PA(19:0/PGF2alpha) (BioDeep_00000189434)
Formula: C42H77O11P (788.5203)		 -0.48 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000065687 Unreliable 789.526 789.526 ~ 789.526
MzDiff: none		 PA(19:0/PGF2alpha) (BioDeep_00000189434)
Formula: C42H77O11P (788.5203)		 1.15 (100%) Homo sapiens
[UBERON:0001155] colon

Found 9 Sample Hits
Metabolite Species Sample
PA(19:0/PGF2alpha)

Formula: C42H77O11P (788.5203)
Adducts: [M+H]+ (Ppm: 2) 		Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H70NO8P (771.4839)
Adducts: [M+NH4]+ (Ppm: 18.7) 		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-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H70NO8P (771.4839)
Adducts: [M+NH4]+ (Ppm: 18.9) 		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).
PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H70NO8P (771.4839)
Adducts: [M+NH4]+ (Ppm: 18) 		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).
(S,E)-N-(4-(4-Acetylpiperazin-1-yl)benzyl)-3-(4-(tert-butyl)phenyl)-N-(1-(4-(4-cyanobenzyl)piperazin-1-yl)-1-oxo-3-phenylpropan-2-yl)acrylamide

Formula: C47H54N6O3 (750.4257)
Adducts: [M+K]+ (Ppm: 14) 		Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PA(19:0/PGF2alpha)

Formula: C42H77O11P (788.5203)
Adducts: [M+H]+ (Ppm: 0.9) 		Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PA(19:0/PGF2alpha)

Formula: C42H77O11P (788.5203)
Adducts: [M+H]+ (Ppm: 0.4) 		Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PA(19:0/PGF2alpha)

Formula: C42H77O11P (788.5203)
Adducts: [M+H]+ (Ppm: 0.3) 		Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PA(19:0/PGF2alpha)

Formula: C42H77O11P (788.5203)
Adducts: [M+H]+ (Ppm: 0.9) 		Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description