M/Z: 818.5474


Hit 6 annotations:  PC(20:4/22:6)_[M+H-2H2O]+; PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))_[M+H-2H2O]+; PE(18:0/PGF2alpha)_[M+H]+; PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_[M+H-H2O]+; PC(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5))_[M+H]+; PA(20:0/6 keto-PGF1alpha)_[M-H2O+NH4]+


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 19 Reference Ions Near m/z 818.5474
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055556 Reliable 818.5374 818.5373 ~ 818.5378
MzDiff: 2.0 ppm		 Ginsenoside A2 (BioDeep_00000000003)
Formula: C42H72O14 (800.4922)		 4.73 (40%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056775 Reliable 818.5474 818.5472 ~ 818.5478
MzDiff: 2.7 ppm		 PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)		 10.46 (70%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043220 Reliable 818.5484 818.5483 ~ 818.5486
MzDiff: 1.4 ppm		 PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)		 4.51 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043704 Unreliable 818.5495 818.5492 ~ 818.5497
MzDiff: 2.3 ppm		 PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)		 2.47 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047572 Unreliable 818.5431 818.5431 ~ 818.5431
MzDiff: none		 PC(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000211664)
Formula: C46H76NO9P (817.5257)		 2.23 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047701 Unreliable 818.551 818.551 ~ 818.551
MzDiff: none		 PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)		 2.16 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051936 Unreliable 818.5396 818.5396 ~ 818.5396
MzDiff: none		 PC(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000211664)
Formula: C46H76NO9P (817.5257)		 2.38 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052020 Unreliable 818.5494 818.5494 ~ 818.5494
MzDiff: none		 PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)		 2.35 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052195 Unreliable 818.557 818.557 ~ 818.557
MzDiff: none		 Not Annotated 2.28 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065473 Unreliable 818.5481 818.5481 ~ 818.5481
MzDiff: none		 PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018559)
Formula: C46H78NO10P (835.5363)		 1.86 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000002563 Unreliable 818.5463 818.5463 ~ 818.5463
MzDiff: none		 PC(20:4/22:6) (BioDeep_00001980144)
Formula: C50H80NO8P (853.5621)		 0.37 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003680 Unavailable 818.5463 818.5463 ~ 818.5463
MzDiff: none		 PC(20:4/22:6) (BioDeep_00001980144)
Formula: C50H80NO8P (853.5621)		 -1.04 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004971 Unavailable 818.5463 818.5463 ~ 818.5463
MzDiff: none		 PC(20:4/22:6) (BioDeep_00001980144)
Formula: C50H80NO8P (853.5621)		 -0.19 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005619 Unavailable 818.5463 818.5463 ~ 818.5463
MzDiff: none		 PC(20:4/22:6) (BioDeep_00001980144)
Formula: C50H80NO8P (853.5621)		 -0.19 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000029029 Unreliable 818.5502 818.5502 ~ 818.5502
MzDiff: none		 PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000029774)
Formula: C50H80NO8P (853.5621)		 0.01 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029150 Unreliable 818.5502 818.5502 ~ 818.5502
MzDiff: none		 PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000029774)
Formula: C50H80NO8P (853.5621)		 1.83 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029237 Unreliable 818.5426 818.5426 ~ 818.5426
MzDiff: none		 Not Annotated 1.53 (0%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000055901 Unavailable 818.5492 818.5492 ~ 818.5492
MzDiff: none		 PA(20:0/6 keto-PGF1alpha) (BioDeep_00000189640)
Formula: C43H79O12P (818.5309)		 -0.32 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000056172 Unavailable 818.5381 818.5381 ~ 818.5381
MzDiff: none		 PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)		 -0.57 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 28 Sample Hits
Metabolite Species Sample
PC(20:4/22:6)

Formula: C50H80NO8P (853.5621)
Adducts: [M+H-2H2O]+ (Ppm: 2.4) 		Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C50H80NO8P (853.5621)
Adducts: [M+H-2H2O]+ (Ppm: 2.4) 		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
PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 9.2) 		Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO10P (835.5363)
Adducts: [M+H-H2O]+ (Ppm: 14.5) 		Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 7.8) 		Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 5.4) 		Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PC(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C46H76NO9P (817.5257)
Adducts: [M+H]+ (Ppm: 12.3) 		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(20:4/22:6)

Formula: C50H80NO8P (853.5621)
Adducts: [M+H-2H2O]+ (Ppm: 2.7) 		Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (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).
PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 11.4) 		Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 6.8) 		Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PA(20:0/6 keto-PGF1alpha)

Formula: C43H79O12P (818.5309)
Adducts: [M-H2O+NH4]+ (Ppm: 6) 		Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 6.9) 		Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 8) 		Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 7.1) 		Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO10P (835.5363)
Adducts: [M+H-H2O]+ (Ppm: 17.4) 		Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 6) 		Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 6.3) 		Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 8.2) 		Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 8.5) 		Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 9.8) 		Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 7.1) 		Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 8.5) 		Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO10P (835.5363)
Adducts: [M+H-H2O]+ (Ppm: 17.4) 		Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 8.2) 		Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO10P (835.5363)
Adducts: [M+H-H2O]+ (Ppm: 18.4) 		Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO10P (835.5363)
Adducts: [M+H-H2O]+ (Ppm: 17.4) 		Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 7.8) 		Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description