M/Z: 554.2813


Hit 4 annotations:  Endomorphin-2_[M+H-H2O]+; (2S)-2-Cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide_[M+Na]+; Pemptoporphyrin_[M+NH4]+; Vignatic acid A_[M+H]+


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 554.2813
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055534 Reliable 554.2895 554.289 ~ 554.2899
MzDiff: 3.9 ppm		 Vignatic acid A (BioDeep_00000022784)
Formula: C30H39N3O7 (553.2788)		 13.49 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065629 Unreliable 554.2884 554.2882 ~ 554.2885
MzDiff: 1.1 ppm		 Vignatic acid A (BioDeep_00000022784)
Formula: C30H39N3O7 (553.2788)		 2.38 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000051808 Unreliable 554.2813 554.2813 ~ 554.2813
MzDiff: none		 (2S)-2-Cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (BioDeep_00000183623)
Formula: C35H37N3O2 (531.2886)		 2.44 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051871 Unreliable 554.2912 554.2912 ~ 554.2912
MzDiff: none		 Vignatic acid A (BioDeep_00000022784)
Formula: C30H39N3O7 (553.2788)		 2.4 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000056781 Unreliable 554.2885 554.2885 ~ 554.2885
MzDiff: none		 Vignatic acid A (BioDeep_00000022784)
Formula: C30H39N3O7 (553.2788)		 2.03 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056321 Unavailable 554.2903 554.2903 ~ 554.2903
MzDiff: none		 Vignatic acid A (BioDeep_00000022784)
Formula: C30H39N3O7 (553.2788)		 -0.64 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 4 Sample Hits
Metabolite Species Sample
Endomorphin-2

Formula: C32H37N5O5 (571.2795)
Adducts: [M+H-H2O]+ (Ppm: 1.9) 		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).
(2S)-2-Cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

Formula: C35H37N3O2 (531.2886)
Adducts: [M+Na]+ (Ppm: 6.3) 		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).
Pemptoporphyrin

Formula: C32H32N4O4 (536.2423)
Adducts: [M+NH4]+ (Ppm: 12.1) 		Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

Vignatic acid A

Formula: C30H39N3O7 (553.2788)
Adducts: [M+H]+ (Ppm: 4.4) 		Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description