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 826.6792
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000065174 Reliable 826.6783 826.678 ~ 826.6787
MzDiff: 2.6 ppm
SM(d18:2(4E,14Z)/24:2(5Z,9Z)) (BioDeep_00000169981)
Formula: C47H89N2O6P (808.6458)
5.25 (57%) Homo sapiens
[UBERON:0001155] colon
MSI_000047757 Unreliable 826.6766 826.6766 ~ 826.6766
MzDiff: none
PC(O-22:0/18:3(6Z,9Z,12Z)) (BioDeep_00000032946)
Formula: C48H92NO7P (825.6611)
2.13 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047787 Unreliable 826.6847 826.6847 ~ 826.6847
MzDiff: none
TG(15:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000037693)
Formula: C52H88O6 (808.6581)
2.11 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000043829 Unreliable 826.6804 826.6804 ~ 826.6804
MzDiff: none
SM(d18:2(4E,14Z)/24:2(5Z,9Z)) (BioDeep_00000169981)
Formula: C47H89N2O6P (808.6458)
1.26 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057898 Unreliable 826.6782 826.678 ~ 826.6783
MzDiff: 1.0 ppm
SM(d18:2(4E,14Z)/24:2(5Z,9Z)) (BioDeep_00000169981)
Formula: C47H89N2O6P (808.6458)
2.5 (50%) Homo sapiens
[UBERON:0001043] esophagus

Found 17 Sample Hits
Metabolite Species Sample
DG(a-25:0/6 keto-PGF1alpha/0:0)

Formula: C48H88O9 (808.6428)
Adducts: [M+NH4]+ (Ppm: 1.1)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

DG(a-25:0/6 keto-PGF1alpha/0:0)

Formula: C48H88O9 (808.6428)
Adducts: [M+NH4]+ (Ppm: 1.1)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

SM(d18:2(4E,14Z)/24:2(5Z,9Z))

Formula: C47H89N2O6P (808.6458)
Adducts: [M+NH4]+ (Ppm: 0.9)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PC(O-22:0/18:3(6Z,9Z,12Z))

Formula: C48H92NO7P (825.6611)
Adducts: [M+H]+ (Ppm: 9.9)
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).

PC(O-22:0/18:3(6Z,9Z,12Z))

Formula: C48H92NO7P (825.6611)
Adducts: [M+H]+ (Ppm: 11.9)
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).

PC(O-22:0/18:3(6Z,9Z,12Z))

Formula: C48H92NO7P (825.6611)
Adducts: [M+H]+ (Ppm: 12.2)
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).

SM(d18:2(4E,14Z)/24:2(5Z,9Z))

Formula: C47H89N2O6P (808.6458)
Adducts: [M+NH4]+ (Ppm: 3.2)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

SM(d18:2(4E,14Z)/24:2(5Z,9Z))

Formula: C47H89N2O6P (808.6458)
Adducts: [M+NH4]+ (Ppm: 1.6)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

SM(d18:2(4E,14Z)/24:2(5Z,9Z))

Formula: C47H89N2O6P (808.6458)
Adducts: [M+NH4]+ (Ppm: 0)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

DG(a-25:0/6 keto-PGF1alpha/0:0)

Formula: C48H88O9 (808.6428)
Adducts: [M+NH4]+ (Ppm: 1.7)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

SM(d18:2(4E,14Z)/24:2(5Z,9Z))

Formula: C47H89N2O6P (808.6458)
Adducts: [M+NH4]+ (Ppm: 0.1)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

SM(d18:2(4E,14Z)/24:2(5Z,9Z))

Formula: C47H89N2O6P (808.6458)
Adducts: [M+NH4]+ (Ppm: 0.5)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

SM(d18:2(4E,14Z)/24:2(5Z,9Z))

Formula: C47H89N2O6P (808.6458)
Adducts: [M+NH4]+ (Ppm: 1.3)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PC(O-22:0/18:3(6Z,9Z,12Z))

Formula: C48H92NO7P (825.6611)
Adducts: [M+H]+ (Ppm: 11.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

SM(d18:2(4E,14Z)/24:2(5Z,9Z))

Formula: C47H89N2O6P (808.6458)
Adducts: [M+NH4]+ (Ppm: 1.1)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

DG(a-25:0/6 keto-PGF1alpha/0:0)

Formula: C48H88O9 (808.6428)
Adducts: [M+NH4]+ (Ppm: 1.7)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

SM(d18:2(4E,14Z)/24:2(5Z,9Z))

Formula: C47H89N2O6P (808.6458)
Adducts: [M+NH4]+ (Ppm: 1.5)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description