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 15 Reference Ions Near m/z 828.5022
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006154 Reliable 828.4922 828.492 ~ 828.4927
MzDiff: 2.8 ppm
Azaspiracid 3 (BioDeep_00000024364)
Formula: C46H69NO12 (827.482)
13.49 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000055550 Reliable 828.5055 828.5051 ~ 828.506
MzDiff: 3.5 ppm
PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186530)
Formula: C43H74NO12P (827.4948)
7.61 (64%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063233 Reliable 828.4922 828.492 ~ 828.4923
MzDiff: 1.0 ppm
Azaspiracid 3 (BioDeep_00000024364)
Formula: C46H69NO12 (827.482)
0.44 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000061213 Unreliable 828.4935 828.4934 ~ 828.4939
MzDiff: 2.4 ppm
Azaspiracid 3 (BioDeep_00000024364)
Formula: C46H69NO12 (827.482)
2.19 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000021349 Unreliable 828.4932 828.4932 ~ 828.4932
MzDiff: none
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000105223)
Formula: C46H70NO10P (827.4737)
1.05 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000026477 Unreliable 828.509 828.509 ~ 828.509
MzDiff: none
Goyaglycoside g (BioDeep_00000022732)
Formula: C43H70O14 (810.4765)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000026591 Unreliable 828.4952 828.4952 ~ 828.4952
MzDiff: none
PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186530)
Formula: C43H74NO12P (827.4948)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000030323 Unreliable 828.5022 828.5022 ~ 828.5022
MzDiff: none
PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186530)
Formula: C43H74NO12P (827.4948)
1.93 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030600 Unreliable 828.5093 828.5093 ~ 828.5093
MzDiff: none
PGP(16:0/18:1(9Z)) (BioDeep_00000009642)
Formula: C40H78O13P2 (828.4917)
1.46 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030873 Unreliable 828.4947 828.4947 ~ 828.4947
MzDiff: none
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000105223)
Formula: C46H70NO10P (827.4737)
0.72 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031253 Unreliable 828.4947 828.4947 ~ 828.4947
MzDiff: none
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000105223)
Formula: C46H70NO10P (827.4737)
1.62 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031877 Unavailable 828.5022 828.5022 ~ 828.5022
MzDiff: none
PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186530)
Formula: C43H74NO12P (827.4948)
-0.25 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000055957 Unavailable 828.506 828.506 ~ 828.506
MzDiff: none
PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186530)
Formula: C43H74NO12P (827.4948)
-0.43 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000058782 Unreliable 828.4922 828.4922 ~ 828.4922
MzDiff: none
Azaspiracid 3 (BioDeep_00000024364)
Formula: C46H69NO12 (827.482)
0.79 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062264 Unavailable 828.4939 828.4939 ~ 828.4939
MzDiff: none
Azaspiracid 3 (BioDeep_00000024364)
Formula: C46H69NO12 (827.482)
-0.25 (100%) Mus musculus
[UBERON:0001950] neocortex

Found 12 Sample Hits
Metabolite Species Sample
Azaspiracid 3

Formula: C46H69NO12 (827.482)
Adducts: [M+H]+ (Ppm: 3.5)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

m/z_828.4959

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). 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-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

m/z_828.504

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(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H74NO12P (827.4948)
Adducts: [M+H]+ (Ppm: 0.1)
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

Azaspiracid 3

Formula: C46H69NO12 (827.482)
Adducts: [M+H]+ (Ppm: 19.4)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H74NO12P (827.4948)
Adducts: [M+H]+ (Ppm: 3.7)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H74NO12P (827.4948)
Adducts: [M+H]+ (Ppm: 4.7)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H74NO12P (827.4948)
Adducts: [M+H]+ (Ppm: 3.1)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H74NO12P (827.4948)
Adducts: [M+H]+ (Ppm: 4.4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H74NO12P (827.4948)
Adducts: [M+H]+ (Ppm: 3.4)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H74NO12P (827.4948)
Adducts: [M+H]+ (Ppm: 4.6)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H74NO12P (827.4948)
Adducts: [M+H]+ (Ppm: 3.6)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description