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 14 Reference Ions Near m/z 747.5241
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043149 Reliable 747.5194 747.519 ~ 747.52
MzDiff: 4.0 ppm
PG(16:0/18:2(9Z,12Z)) (BioDeep_00000019282)
Formula: C40H75O10P (746.5098)
12.14 (94%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043248 Reliable 747.5194 747.519 ~ 747.52
MzDiff: 4.0 ppm
PG(16:0/18:2(9Z,12Z)) (BioDeep_00000019282)
Formula: C40H75O10P (746.5098)
12.14 (94%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043757 Reliable 747.5184 747.518 ~ 747.5189
MzDiff: 3.7 ppm
PG(16:0/18:2(9Z,12Z)) (BioDeep_00000019282)
Formula: C40H75O10P (746.5098)
11.12 (64%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047140 Unreliable 747.5153 747.5153 ~ 747.5153
MzDiff: none
Narasin (BioDeep_00000017926)
Formula: C43H72O11 (764.5074)
2.72 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000056766 Unreliable 747.5166 747.5161 ~ 747.5169
MzDiff: 3.5 ppm
PG(16:0/18:2(9Z,12Z)) (BioDeep_00000019282)
Formula: C40H75O10P (746.5098)
2.48 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065447 Unreliable 747.5176 747.5175 ~ 747.5178
MzDiff: 1.1 ppm
PG(16:0/18:2(9Z,12Z)) (BioDeep_00000019282)
Formula: C40H75O10P (746.5098)
2.67 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000051646 Unreliable 747.5184 747.5184 ~ 747.5184
MzDiff: none
Narasin (BioDeep_00000017926)
Formula: C43H72O11 (764.5074)
2.98 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047156 Unreliable 747.5221 747.5221 ~ 747.5221
MzDiff: none
Azitromycin (BioDeep_00000177001)
Formula: C39H74N2O11 (746.5292)
2.68 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051663 Unreliable 747.5252 747.5252 ~ 747.5252
MzDiff: none
Azitromycin (BioDeep_00000177001)
Formula: C39H74N2O11 (746.5292)
2.75 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047230 Unreliable 747.529 747.529 ~ 747.529
MzDiff: none
SM(d18:0/PGJ2) (BioDeep_00000215463)
Formula: C43H79N2O8P (782.5574)
2.53 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051867 Unreliable 747.532 747.532 ~ 747.532
MzDiff: none
Not Annotated 2.4 (%) Homo sapiens
[UBERON:0001052] rectum
MSI_000026891 Unreliable 747.5153 747.5153 ~ 747.5153
MzDiff: none
PG(16:0/18:2(9Z,12Z)) (BioDeep_00000019282)
Formula: C40H75O10P (746.5098)
1.78 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000025795 Unreliable 747.517 747.517 ~ 747.517
MzDiff: none
PS(15:0/18:1(11Z)) (BioDeep_00000104645)
Formula: C39H74NO10P (747.505)
2.09 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000056122 Unavailable 747.5205 747.5205 ~ 747.5205
MzDiff: none
PG(16:0/18:2(9Z,12Z)) (BioDeep_00000019282)
Formula: C40H75O10P (746.5098)
-0.55 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 8 Sample Hits
Metabolite Species Sample
PS(15:0/18:1(11Z))

Formula: C39H74NO10P (747.505)
Adducts: [M-H2O+NH4]+ (Ppm: 15.1)
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

PG(16:0/18:2(9Z,12Z))

Formula: C40H75O10P (746.5098)
Adducts: [M+H]+ (Ppm: 4)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Azitromycin

Formula: C39H74N2O11 (746.5292)
Adducts: [M+H]+ (Ppm: 19.3)
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).

Azitromycin

Formula: C39H74N2O11 (746.5292)
Adducts: [M+H]+ (Ppm: 14.3)
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).

Azitromycin

Formula: C39H74N2O11 (746.5292)
Adducts: [M+H]+ (Ppm: 16.6)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PG(16:0/18:2(9Z,12Z))

Formula: C40H75O10P (746.5098)
Adducts: [M+H]+ (Ppm: 4.6)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PG(16:0/18:2(9Z,12Z))

Formula: C40H75O10P (746.5098)
Adducts: [M+H]+ (Ppm: 3.7)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PG(16:0/18:2(9Z,12Z))

Formula: C40H75O10P (746.5098)
Adducts: [M+H]+ (Ppm: 3.2)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description