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 7 Reference Ions Near m/z 529.3182
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006586 Reliable 529.3121 529.312 ~ 529.3121
MzDiff: 0.3 ppm
3-Palmitoylcatechin (BioDeep_00000173986)
Formula: C31H44O7 (528.3087)
5.29 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000052851 Reliable 529.3175 529.3174 ~ 529.3179
MzDiff: 2.1 ppm
Tabimorelin (BioDeep_00000184105)
Formula: C32H40N4O3 (528.31)
4.06 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000020687 Reliable 529.3121 529.312 ~ 529.3121
MzDiff: 0.3 ppm
3-Palmitoylcatechin (BioDeep_00000173986)
Formula: C31H44O7 (528.3087)
6.59 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
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_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
MSI_000056962 Unreliable 529.3128 529.3128 ~ 529.3128
MzDiff: none
3-Palmitoylcatechin (BioDeep_00000173986)
Formula: C31H44O7 (528.3087)
1.54 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 9 Sample Hits
Metabolite Species Sample
Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 0.2)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 6.2)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

(5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoylcarnitine

Formula: C30H43NO7 (529.3039)
Adducts: [M-H2O+NH4]+ (Ppm: 16.8)
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).

(5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoylcarnitine

Formula: C30H43NO7 (529.3039)
Adducts: [M-H2O+NH4]+ (Ppm: 15.1)
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).

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 0.4)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 1.7)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 1.1)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 5.5)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 1.5)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description