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 11 Reference Ions Near m/z 778.5491
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043335 Reliable 778.5408 778.54 ~ 778.541
MzDiff: 4.1 ppm
PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (BioDeep_00000027151)
Formula: C44H76NO8P (777.5308)
6.41 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043851 Reliable 778.5415 778.5412 ~ 778.5419
MzDiff: 2.7 ppm
PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (BioDeep_00000027151)
Formula: C44H76NO8P (777.5308)
3.9 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058191 Reliable 778.5494 778.5491 ~ 778.55
MzDiff: 3.6 ppm
PS(15:0/20:0) (BioDeep_00000104689)
Formula: C41H80NO10P (777.552)
3.84 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000052572 Unreliable 778.544 778.544 ~ 778.544
MzDiff: none
PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (BioDeep_00000027151)
Formula: C44H76NO8P (777.5308)
1.58 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000056791 Unreliable 778.5393 778.5391 ~ 778.5394
MzDiff: 1.4 ppm
PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (BioDeep_00000027151)
Formula: C44H76NO8P (777.5308)
4.31 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000021433 Unreliable 778.5445 778.5445 ~ 778.5445
MzDiff: none
PS(15:0/20:0) (BioDeep_00000104689)
Formula: C41H80NO10P (777.552)
0.94 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000065524 Unreliable 778.5397 778.5397 ~ 778.5397
MzDiff: none
PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (BioDeep_00000027151)
Formula: C44H76NO8P (777.5308)
1.47 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000065592 Unreliable 778.5495 778.5495 ~ 778.5495
MzDiff: none
PS(15:0/20:0) (BioDeep_00000104689)
Formula: C41H80NO10P (777.552)
2.56 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000065711 Unreliable 778.5517 778.5517 ~ 778.5517
MzDiff: none
PS(15:0/20:0) (BioDeep_00000104689)
Formula: C41H80NO10P (777.552)
1.73 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000026756 Unreliable 778.54 778.54 ~ 778.54
MzDiff: none
SM(d16:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215279)
Formula: C43H75N2O8P (778.5261)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000056183 Unavailable 778.5419 778.5419 ~ 778.5419
MzDiff: none
PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (BioDeep_00000027151)
Formula: C44H76NO8P (777.5308)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 14 Sample Hits
Metabolite Species Sample
PS(15:0/20:0)

Formula: C41H80NO10P (777.552)
Adducts: [M+H]+ (Ppm: 18.9)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

PS(15:0/20:0)

Formula: C41H80NO10P (777.552)
Adducts: [M+H]+ (Ppm: 13)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PA(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))

Formula: C45H79O8P (778.5512)
Adducts: [M]+ (Ppm: 2)
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).

SM(d16:2(4E,8Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C43H73N2O7P (760.5155)
Adducts: [M+NH4]+ (Ppm: 0.1)
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).

SM(d16:2(4E,8Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C43H73N2O7P (760.5155)
Adducts: [M+NH4]+ (Ppm: 3)
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).

PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))

Formula: C44H76NO8P (777.5308)
Adducts: [M+H]+ (Ppm: 9.5)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))

Formula: C44H76NO8P (777.5308)
Adducts: [M+H]+ (Ppm: 4)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))

Formula: C44H76NO8P (777.5308)
Adducts: [M+H]+ (Ppm: 4.9)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PS(15:0/20:0)

Formula: C41H80NO10P (777.552)
Adducts: [M+H]+ (Ppm: 11.9)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PS(15:0/20:0)

Formula: C41H80NO10P (777.552)
Adducts: [M+H]+ (Ppm: 13.4)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PS(15:0/20:0)

Formula: C41H80NO10P (777.552)
Adducts: [M+H]+ (Ppm: 11.2)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PS(15:0/20:0)

Formula: C41H80NO10P (777.552)
Adducts: [M+H]+ (Ppm: 12.5)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PS(15:0/20:0)

Formula: C41H80NO10P (777.552)
Adducts: [M+H]+ (Ppm: 9.7)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PS(15:0/20:0)

Formula: C41H80NO10P (777.552)
Adducts: [M+H]+ (Ppm: 14.8)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description