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 529.3015
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053324 Reliable 529.3064 529.306 ~ 529.3066
MzDiff: 2.4 ppm
Haloperidol decanoate (BioDeep_00000179672)
Formula: C31H41ClFNO3 (529.2759)
5.42 (62%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000010125 Unavailable 529.3096 529.3096 ~ 529.3096
MzDiff: 0.0 ppm
Milbemectin (BioDeep_00000002388)
Formula: C31H44O7 (528.3087)
-0.4 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000053533 Unreliable 529.3106 529.3106 ~ 529.3106
MzDiff: none
3-Palmitoylcatechin (BioDeep_00000173986)
Formula: C31H44O7 (528.3087)
2.32 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000053552 Unreliable 529.3015 529.3015 ~ 529.3015
MzDiff: none
Glycochenodeoxycholate 7-sulfate (BioDeep_00000010773)
Formula: C26H43NO8S (529.2709)
2.28 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000011920 Unavailable 529.3096 529.3096 ~ 529.3096
MzDiff: 0.0 ppm
Milbemectin (BioDeep_00000002388)
Formula: C31H44O7 (528.3087)
-0.4 (100%) Bathymodiolus
[UBERON:2000211] gill lamella

Found 10 Sample Hits
Metabolite Species Sample
Glycochenodeoxycholate 7-sulfate

Formula: C26H43NO8S (529.2709)
Adducts: [M-H2O+NH4]+ (Ppm: 18.5)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

3-Palmitoylcatechin

Formula: C31H44O7 (528.3087)
Adducts: [M+H]+ (Ppm: 19.8)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Glycochenodeoxycholate 7-sulfate

Formula: C26H43NO8S (529.2709)
Adducts: [M-H2O+NH4]+ (Ppm: 13.8)
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).

Glycochenodeoxycholate 7-sulfate

Formula: C26H43NO8S (529.2709)
Adducts: [M-H2O+NH4]+ (Ppm: 18.7)
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).

Glycochenodeoxycholate 7-sulfate

Formula: C26H43NO8S (529.2709)
Adducts: [M-H2O+NH4]+ (Ppm: 9.9)
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).

Haloperidol decanoate

Formula: C31H41ClFNO3 (529.2759)
Adducts: [M-H2O+NH4]+ (Ppm: 11.6)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

Haloperidol decanoate

Formula: C31H41ClFNO3 (529.2759)
Adducts: [M-H2O+NH4]+ (Ppm: 9)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

AFN911

Formula: C29H33N7O2 (511.2696)
Adducts: [M+NH4]+ (Ppm: 3.6)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

Haloperidol decanoate

Formula: C31H41ClFNO3 (529.2759)
Adducts: [M-H2O+NH4]+ (Ppm: 11.6)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

Haloperidol decanoate

Formula: C31H41ClFNO3 (529.2759)
Adducts: [M-H2O+NH4]+ (Ppm: 11.4)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description