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 18 Reference Ions Near m/z 788.5274
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006529 Reliable 788.5216 788.521 ~ 788.5217
MzDiff: 2.8 ppm
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
7.84 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000056683 Reliable 788.5245 788.524 ~ 788.5248
MzDiff: 3.1 ppm
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
10.66 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046869 Reliable 788.5234 788.5231 ~ 788.5239
MzDiff: 3.4 ppm
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
10.86 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000021110 Reliable 788.5215 788.521 ~ 788.5217
MzDiff: 2.8 ppm
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
4.35 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000065181 Reliable 788.5225 788.5221 ~ 788.523
MzDiff: 3.7 ppm
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
5.13 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000043154 Unreliable 788.5225 788.5221 ~ 788.523
MzDiff: 3.4 ppm
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
4.57 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047060 Unreliable 788.5365 788.5365 ~ 788.5365
MzDiff: none
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
2.9 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047199 Unreliable 788.5291 788.5291 ~ 788.5291
MzDiff: none
Ginsenoside F5 (BioDeep_00000024922)
Formula: C41H70O13 (770.4816)
2.58 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047740 Unreliable 788.5217 788.5217 ~ 788.5217
MzDiff: none
PE(16:0/PGE2) (BioDeep_00000185902)
Formula: C41H74NO11P (787.4999)
2.14 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052201 Unreliable 788.5248 788.5248 ~ 788.5248
MzDiff: none
Ginsenoside F5 (BioDeep_00000024922)
Formula: C41H70O13 (770.4816)
2.28 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052499 Unreliable 788.5322 788.5322 ~ 788.5322
MzDiff: none
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
1.92 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000021370 Unreliable 788.5182 788.5182 ~ 788.5182
MzDiff: none
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
1.02 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000022132 Unreliable 788.5236 788.5236 ~ 788.5236
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:1(9Z)) (BioDeep_00000032552)
Formula: C42H79NO11S (805.5374)
0.42 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000026000 Unreliable 788.5332 788.5332 ~ 788.5332
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:1(9Z)) (BioDeep_00000032552)
Formula: C42H79NO11S (805.5374)
1.96 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000026790 Unreliable 788.5182 788.5182 ~ 788.5182
MzDiff: none
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000049985 Unreliable 788.5197 788.5197 ~ 788.5197
MzDiff: none
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
1.26 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000051029 Unreliable 788.5197 788.5197 ~ 788.5197
MzDiff: none
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
0.27 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000056253 Unavailable 788.5247 788.5247 ~ 788.5247
MzDiff: none
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
-0.58 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 17 Sample Hits
Metabolite Species Sample
3-O-Sulfogalactosylceramide (d18:1/18:1(9Z))

Formula: C42H79NO11S (805.5374)
Adducts: [M+H-H2O]+ (Ppm: 13.3)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

3-O-Sulfogalactosylceramide (d18:1/18:1(9Z))

Formula: C42H79NO11S (805.5374)
Adducts: [M+H-H2O]+ (Ppm: 1.1)
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(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H74NO8P (787.5152)
Adducts: [M+H]+ (Ppm: 0.7)
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(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H74NO8P (787.5152)
Adducts: [M+H]+ (Ppm: 3)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Ginsenoside F5

Formula: C41H70O13 (770.4816)
Adducts: [M+NH4]+ (Ppm: 17.3)
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).

PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H74NO8P (787.5152)
Adducts: [M+H]+ (Ppm: 3.1)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

Ginsenoside F5

Formula: C41H70O13 (770.4816)
Adducts: [M+NH4]+ (Ppm: 17.4)
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).

Ginsenoside F5

Formula: C41H70O13 (770.4816)
Adducts: [M+NH4]+ (Ppm: 11.9)
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).

Ginsenoside F5

Formula: C41H70O13 (770.4816)
Adducts: [M+NH4]+ (Ppm: 15.2)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H74NO8P (787.5152)
Adducts: [M+H]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H74NO8P (787.5152)
Adducts: [M+H]+ (Ppm: 1.7)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H74NO8P (787.5152)
Adducts: [M+H]+ (Ppm: 0.9)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H74NO8P (787.5152)
Adducts: [M+H]+ (Ppm: 2)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H74NO8P (787.5152)
Adducts: [M+H]+ (Ppm: 2.7)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H74NO8P (787.5152)
Adducts: [M+H]+ (Ppm: 1.8)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H74NO8P (787.5152)
Adducts: [M+H]+ (Ppm: 0.9)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H74NO8P (787.5152)
Adducts: [M+H]+ (Ppm: 0.7)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description