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 780.6037
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000057766 Reliable 780.6095 780.609 ~ 780.61
MzDiff: 3.9 ppm
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844)
Formula: C53H79O4 (779.5978)
6.07 (93%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000043171 Reliable 780.5944 780.5942 ~ 780.5947
MzDiff: 2.2 ppm
PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000031982)
Formula: C45H82NO7P (779.5829)
4.89 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000021113 Reliable 780.6077 780.6075 ~ 780.608
MzDiff: 1.8 ppm
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844)
Formula: C53H79O4 (779.5978)
4.31 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008315 Reliable 780.6077 780.6075 ~ 780.608
MzDiff: 1.8 ppm
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844)
Formula: C53H79O4 (779.5978)
6.78 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000052853 Unreliable 780.6096 780.609 ~ 780.61
MzDiff: 3.9 ppm
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844)
Formula: C53H79O4 (779.5978)
3.61 (80%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000006835 780.6075 780.6075 ~ 780.6075
MzDiff: none
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844)
Formula: C53H79O4 (779.5978)
2.5 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000027230 Unreliable 780.6004 780.6004 ~ 780.6004
MzDiff: none
PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000031982)
Formula: C45H82NO7P (779.5829)
1.76 (100%) Mus musculus
[UBERON:0002048] lung

Found 11 Sample Hits
Metabolite Species Sample
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate

Formula: C53H79O4 (779.5978)
Adducts: [M+H]+ (Ppm: 3.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate

Formula: C53H79O4 (779.5978)
Adducts: [M+H]+ (Ppm: 3.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate

Formula: C53H79O4 (779.5978)
Adducts: [M+H]+ (Ppm: 3.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate

Formula: C53H79O4 (779.5978)
Adducts: [M+H]+ (Ppm: 4.4)
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

PE(P-18:0/22:4(7Z,10Z,13Z,16Z))

Formula: C45H82NO7P (779.5829)
Adducts: [M+H]+ (Ppm: 17.4)
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.

PE(P-18:0/22:4(7Z,10Z,13Z,16Z))

Formula: C45H82NO7P (779.5829)
Adducts: [M+H]+ (Ppm: 13.1)
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.

3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate

Formula: C53H79O4 (779.5978)
Adducts: [M+H]+ (Ppm: 4.3)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate

Formula: C53H79O4 (779.5978)
Adducts: [M+H]+ (Ppm: 1.2)
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).

3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate

Formula: C53H79O4 (779.5978)
Adducts: [M+H]+ (Ppm: 2.1)
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).

3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate

Formula: C53H79O4 (779.5978)
Adducts: [M+H]+ (Ppm: 3.7)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PC(20:1(11Z)/P-18:1(11Z))

Formula: C46H88NO7P (797.6298)
Adducts: [M+H-H2O]+ (Ppm: 19.5)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description