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 7 Reference Ions Near m/z 910.5442
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043743 Reliable 910.5535 910.553 ~ 910.5537
MzDiff: 2.8 ppm
Chlorophyll a (BioDeep_00000004162)
Formula: C55H72MgN4O5 (892.5353)
11.04 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047344 Unreliable 910.5402 910.5402 ~ 910.5402
MzDiff: none
PA(20:0/LTE4) (BioDeep_00000189646)
Formula: C46H82NO11PS (887.5346)
2.36 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047373 Unreliable 910.5492 910.5492 ~ 910.5492
MzDiff: none
PS(22:2(13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000208150)
Formula: C48H80NO13P (909.5367)
2.34 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052051 Unreliable 910.5531 910.5531 ~ 910.5531
MzDiff: none
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000213554)
Formula: C52H80NO10P (909.552)
2.34 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052066 Unreliable 910.5442 910.5442 ~ 910.5442
MzDiff: none
Calcium phytate (BioDeep_00000228016)
Formula: C6H6Ca6O24P6 (887.543)
2.34 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065544 Unreliable 910.5529 910.5529 ~ 910.5529
MzDiff: 0.2 ppm
Chlorophyll a (BioDeep_00000004162)
Formula: C55H72MgN4O5 (892.5353)
2.62 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000027059 Unreliable 910.5461 910.5461 ~ 910.5461
MzDiff: none
PS(22:2(13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000208150)
Formula: C48H80NO13P (909.5367)
1.78 (100%) Mus musculus
[UBERON:0002048] lung

Found 9 Sample Hits
Metabolite Species Sample
PS(22:2(13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C48H80NO13P (909.5367)
Adducts: [M+H]+ (Ppm: 6.3)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

PGP(a-21:0/18:2(10E,12Z)+=O(9))

Formula: C45H84O14P2 (910.5336)
Adducts: [M]+ (Ppm: 9.9)
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

PS(22:2(13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C48H80NO13P (909.5367)
Adducts: [M+H]+ (Ppm: 5.5)
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.

PS(22:2(13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C48H80NO13P (909.5367)
Adducts: [M+H]+ (Ppm: 2.3)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

PA(20:0/LTE4)

Formula: C46H82NO11PS (887.5346)
Adducts: [M+Na]+ (Ppm: 18)
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).

PGP(a-21:0/18:2(10E,12Z)+=O(9))

Formula: C45H84O14P2 (910.5336)
Adducts: [M]+ (Ppm: 8.8)
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).

Calcium phytate

Formula: C6H6Ca6O24P6 (887.543)
Adducts: [M+Na]+ (Ppm: 13.1)
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).

PS(22:2(13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C48H80NO13P (909.5367)
Adducts: [M+H]+ (Ppm: 0.4)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Chlorophyll a

Formula: C55H72MgN4O5 (892.5353)
Adducts: [M+NH4]+ (Ppm: 17.2)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description