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 2 Reference Ions Near m/z 817.4738
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000052361 Unreliable 817.4824 817.4824 ~ 817.4824
MzDiff: none
Not Annotated 2.14 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065812 Unreliable 817.4751 817.4751 ~ 817.4751
MzDiff: none
PA(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000191031)
Formula: C45H69O11P (816.4577)
1.15 (100%) Homo sapiens
[UBERON:0001155] colon

Found 6 Sample Hits
Metabolite Species Sample
(2r,3r,4r,5s,6s)-2-{[(1s,2s,3as,3bs,7s,9ar,9bs,10r,11as)-7,10-dihydroxy-1-[(2s,3s)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxy-6-methyloxan-4-yl 3,4,5-trimethoxybenzoate

Formula: C45H68O13 (816.466)
Adducts: [M+H]+ (Ppm: 4.2)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

PA(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H69O11P (816.4577)
Adducts: [M+H]+ (Ppm: 10.5)
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).

PA(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H69O11P (816.4577)
Adducts: [M+H]+ (Ppm: 10.8)
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).

Hebevinoside XII

Formula: C43H70O13 (794.4816)
Adducts: [M+Na]+ (Ppm: 5.8)
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).

PS(18:4(6Z,9Z,12Z,15Z)/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C44H68NO11P (817.453)
Adducts: [M-H2O+NH4]+ (Ppm: 2.3)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PA(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H69O11P (816.4577)
Adducts: [M+H]+ (Ppm: 12.4)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description