M/Z: 697.3621


Hit 2 annotations:  (8S,9R,11S,13S,14S,17S)-13-Methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol_[M+K]+; Gluten exorphin B5_[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 5 Reference Ions Near m/z 697.3621
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055545 Reliable 697.3584 697.3581 ~ 697.3587
MzDiff: 2.6 ppm		 Gluten exorphin B5 (BioDeep_00000053856)
Formula: C30H38N6O11 (658.2598)		 13.25 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057769 Reliable 697.3567 697.3565 ~ 697.3569
MzDiff: 1.8 ppm		 Cimicifugoside (BioDeep_00000177502)
Formula: C37H54O11 (674.3666)		 4.83 (50%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000057010 Unreliable 697.3573 697.357 ~ 697.3575
MzDiff: 1.9 ppm		 Gluten exorphin B5 (BioDeep_00000053856)
Formula: C30H38N6O11 (658.2598)		 3.78 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000022007 Unreliable 697.3636 697.3636 ~ 697.3636
MzDiff: none		 (8S,9R,11S,13S,14S,17S)-13-Methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol (BioDeep_00000185220)
Formula: C34H43F5O5S (658.2751)		 0.5 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000055924 Unavailable 697.3591 697.3591 ~ 697.3591
MzDiff: none		 Gluten exorphin B5 (BioDeep_00000053856)
Formula: C30H38N6O11 (658.2598)		 -0.37 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 17 Sample Hits
Metabolite Species Sample
(8S,9R,11S,13S,14S,17S)-13-Methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Formula: C34H43F5O5S (658.2751)
Adducts: [M+K]+ (Ppm: 13.3) 		Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased
m/z_697.3654

Formula: - (n/a)
Adducts: (Ppm: 0) 		Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 0.1) 		Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 2.3) 		Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

(8S,9R,11S,13S,14S,17S)-13-Methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Formula: C34H43F5O5S (658.2751)
Adducts: [M+K]+ (Ppm: 15.4) 		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).
Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 1.3) 		Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 2.2) 		Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 0.9) 		Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 0.2) 		Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 0.2) 		Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 1.4) 		Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 1.3) 		Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 1) 		Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 1.6) 		Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 1.2) 		Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 0.3) 		Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

Gluten exorphin B5

Formula: C30H38N6O11 (658.2598)
Adducts: [M+K]+ (Ppm: 1.1) 		Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description