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 4 Reference Ions Near m/z 829.4558
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000063368 Unavailable 829.4558 829.4558 ~ 829.4558
MzDiff: none
1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester (BioDeep_00000021230)
Formula: C42H68O16 (828.4507)
-0.02 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000060290 Unreliable 829.4556 829.4554 ~ 829.4558
MzDiff: 1.8 ppm
1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester (BioDeep_00000021230)
Formula: C42H68O16 (828.4507)
0.79 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000058834 Unreliable 829.4554 829.4554 ~ 829.4554
MzDiff: none
1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester (BioDeep_00000021230)
Formula: C42H68O16 (828.4507)
0.36 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000060168 Unavailable 829.4554 829.4554 ~ 829.4554
MzDiff: none
1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester (BioDeep_00000021230)
Formula: C42H68O16 (828.4507)
-1.13 (100%) Mus musculus
[UBERON:0002298] brainstem

Found 3 Sample Hits
Metabolite Species Sample
Rifabutin

Formula: C46H62N4O11 (846.4415)
Adducts: [M+H-H2O]+ (Ppm: 18.8)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester

Formula: C42H68O16 (828.4507)
Adducts: [M+H]+ (Ppm: 3.1)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description

1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester

Formula: C42H68O16 (828.4507)
Adducts: [M+H]+ (Ppm: 2.6)
Mus musculus (brain)
Brain02_Bregma1-42_03
Resolution: 17μm, 483x403

Description