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 13 Reference Ions Near m/z 836.5255
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046878 Reliable 836.5346 836.5342 ~ 836.5349
MzDiff: 2.7 ppm
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
5.11 (57%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047389 Unreliable 836.5242 836.5242 ~ 836.5242
MzDiff: none
Dinophysistoxin 1 (BioDeep_00000011452)
Formula: C45H70O13 (818.4816)
2.33 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047479 Unreliable 836.5323 836.5323 ~ 836.5323
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
2.27 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052036 Unreliable 836.5338 836.5338 ~ 836.5338
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
2.34 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052068 Unreliable 836.526 836.526 ~ 836.526
MzDiff: none
Dinophysistoxin 1 (BioDeep_00000011452)
Formula: C45H70O13 (818.4816)
2.34 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000021310 Unreliable 836.5194 836.5194 ~ 836.5194
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
1.15 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000022032 Unreliable 836.5269 836.5269 ~ 836.5269
MzDiff: none
Quinquenoside F1 (BioDeep_00000024539)
Formula: C42H74O15 (818.5027)
0.49 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000055677 Unreliable 836.5324 836.532 ~ 836.5327
MzDiff: 2.9 ppm
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
0.82 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000030466 Unreliable 836.53 836.53 ~ 836.53
MzDiff: none
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018559)
Formula: C46H78NO10P (835.5363)
1.73 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030484 Unreliable 836.5227 836.5227 ~ 836.5227
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
1.69 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031453 Unreliable 836.5227 836.5227 ~ 836.5227
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
0.7 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031749 Unavailable 836.53 836.53 ~ 836.53
MzDiff: none
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018559)
Formula: C46H78NO10P (835.5363)
-0.07 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000065327 Unreliable 836.5347 836.5347 ~ 836.5347
MzDiff: none
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018559)
Formula: C46H78NO10P (835.5363)
1.15 (100%) Homo sapiens
[UBERON:0001155] colon

Found 14 Sample Hits
Metabolite Species Sample
Quinquenoside F1

Formula: C42H74O15 (818.5027)
Adducts: [M+NH4]+ (Ppm: 11.6)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

m/z_836.5243

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). Ion images of (a) m/z 796.6856 ([U13C-DPPC+Na]+), (b) m/z 756.5154 [PC32:0+Na]+ and (c) m/z 765.6079 ([D9-PC32:0+Na]+). (d) Overlay image of [U13C-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 0.3)
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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 11.4)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (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).

PE(20:3(5Z,8Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H74NO11P (835.4999)
Adducts: [M+H]+ (Ppm: 19.6)
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).

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 12.6)
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).

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 12.4)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 9.4)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 17.2)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 8.2)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 12)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 15.8)
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]+ (Ppm: 10.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description