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 24 Reference Ions Near m/z 817.509
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058097 Reliable 817.5043 817.5041 ~ 817.5046
MzDiff: 2.2 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
11.31 (53%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058300 Reliable 817.5043 817.5041 ~ 817.5046
MzDiff: 2.2 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
11.31 (53%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058420 Reliable 817.5043 817.5041 ~ 817.5046
MzDiff: 2.2 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
11.31 (53%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062040 Reliable 817.5043 817.5041 ~ 817.5046
MzDiff: 2.2 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
11.31 (53%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063008 Reliable 817.5043 817.5041 ~ 817.5046
MzDiff: 2.2 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
11.31 (53%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063397 Reliable 817.5043 817.5041 ~ 817.5046
MzDiff: 2.2 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
11.31 (53%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063651 Reliable 817.5043 817.5041 ~ 817.5046
MzDiff: 2.2 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
11.31 (53%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063702 Reliable 817.5043 817.5041 ~ 817.5046
MzDiff: 2.2 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
11.31 (53%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000064791 Reliable 817.5043 817.5041 ~ 817.5046
MzDiff: 2.2 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
11.31 (53%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065086 Reliable 817.5034 817.5031 ~ 817.504
MzDiff: 3.7 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
7.85 (89%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043747 Reliable 817.5042 817.5041 ~ 817.5045
MzDiff: 1.6 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
3.75 (88%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000055525 Unreliable 817.5052 817.505 ~ 817.5053
MzDiff: 1.1 ppm
Momorcharaside A (BioDeep_00000017395)
Formula: C42H72O15 (816.4871)
4.1 (80%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043760 Unreliable 817.5053 817.5052 ~ 817.5053
MzDiff: 0.1 ppm
Momorcharaside A (BioDeep_00000017395)
Formula: C42H72O15 (816.4871)
2.47 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047285 Unreliable 817.5113 817.5113 ~ 817.5113
MzDiff: none
PI(16:0/18:2) (BioDeep_00000019302)
Formula: C43H79O13P (834.5258)
2.43 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047296 Unreliable 817.5033 817.5033 ~ 817.5033
MzDiff: none
Momorcharaside A (BioDeep_00000017395)
Formula: C42H72O15 (816.4871)
2.42 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047374 Unreliable 817.519 817.519 ~ 817.519
MzDiff: none
Not Annotated 2.34 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052453 Unreliable 817.5059 817.5059 ~ 817.5059
MzDiff: none
PE(18:3(6Z,9Z,12Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000186570)
Formula: C45H72NO10P (817.4894)
2 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052536 Unreliable 817.5119 817.5119 ~ 817.5119
MzDiff: none
PI(16:0/18:2) (BioDeep_00000019302)
Formula: C43H79O13P (834.5258)
1.75 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065481 Unreliable 817.5026 817.5025 ~ 817.5028
MzDiff: 1.2 ppm
Momorcharaside A (BioDeep_00000017395)
Formula: C42H72O15 (816.4871)
2.7 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000008477 Unreliable 817.5172 817.517 ~ 817.5173
MzDiff: 1.0 ppm
PE(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186786)
Formula: C45H70NO9P (799.4788)
5.11 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000056712 Unreliable 817.5008 817.5008 ~ 817.5009
MzDiff: 0.5 ppm
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
2.94 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000031388 Unreliable 817.5129 817.5129 ~ 817.5129
MzDiff: none
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
0.98 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000044278 Unreliable 817.5145 817.5145 ~ 817.5145
MzDiff: none
PE(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186786)
Formula: C45H70NO9P (799.4788)
0.32 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000056219 Unavailable 817.5053 817.5053 ~ 817.5053
MzDiff: none
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
-0.58 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 16 Sample Hits
Metabolite Species Sample
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H73O10P (816.4941)
Adducts: [M+H]+ (Ppm: 14.1)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

Momorcharaside A

Formula: C42H72O15 (816.4871)
Adducts: [M+H]+ (Ppm: 13.2)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Momorcharaside A

Formula: C42H72O15 (816.4871)
Adducts: [M+H]+ (Ppm: 10.4)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

PI(16:0/18:2)

Formula: C43H79O13P (834.5258)
Adducts: [M+H-H2O]+ (Ppm: 13.7)
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).

PE(18:3(6Z,9Z,12Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C45H72NO10P (817.4894)
Adducts: [M-H2O+NH4]+ (Ppm: 8.2)
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).

PI(16:0/18:2)

Formula: C43H79O13P (834.5258)
Adducts: [M+H-H2O]+ (Ppm: 13)
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).

PI(16:0/18:2)

Formula: C43H79O13P (834.5258)
Adducts: [M+H-H2O]+ (Ppm: 16.5)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H73O10P (816.4941)
Adducts: [M+H]+ (Ppm: 4.8)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H73O10P (816.4941)
Adducts: [M+H]+ (Ppm: 3.4)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H73O10P (816.4941)
Adducts: [M+H]+ (Ppm: 3.2)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

Momorcharaside A

Formula: C42H72O15 (816.4871)
Adducts: [M+H]+ (Ppm: 13)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

Momorcharaside A

Formula: C42H72O15 (816.4871)
Adducts: [M+H]+ (Ppm: 12.4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Momorcharaside A

Formula: C42H72O15 (816.4871)
Adducts: [M+H]+ (Ppm: 11.9)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

Momorcharaside A

Formula: C42H72O15 (816.4871)
Adducts: [M+H]+ (Ppm: 12.5)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H73O10P (816.4941)
Adducts: [M+H]+ (Ppm: 3.6)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

Momorcharaside A

Formula: C42H72O15 (816.4871)
Adducts: [M+H]+ (Ppm: 10.9)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description