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 30 Reference Ions Near m/z 795.524
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058294 Reliable 795.5203 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
7.7 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058414 Reliable 795.5203 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
7.7 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062034 Reliable 795.5203 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
7.7 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063002 Reliable 795.5203 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
7.7 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063391 Reliable 795.5203 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
7.7 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063645 Reliable 795.5203 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
7.7 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063696 Reliable 795.5203 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
7.7 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000064785 Reliable 795.5203 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
7.7 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065080 Reliable 795.5203 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
7.7 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057892 Reliable 795.5204 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
6.16 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047181 Unreliable 795.5183 795.5183 ~ 795.5183
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
2.62 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000065450 Unreliable 795.5187 795.5186 ~ 795.5189
MzDiff: 1.2 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
2.73 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000043611 Unreliable 795.5203 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
3.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000052262 Unreliable 795.5214 795.5214 ~ 795.5214
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
2.23 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047235 Unreliable 795.5259 795.5259 ~ 795.5259
MzDiff: none
PG(a-17:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000195788)
Formula: C41H79O12P (794.5309)
2.52 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052290 Unreliable 795.5289 795.5289 ~ 795.5289
MzDiff: none
Not Annotated 2.22 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000060815 Unreliable 795.5304 795.5303 ~ 795.5305
MzDiff: 0.6 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
3.8 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000047270 Unreliable 795.5333 795.5333 ~ 795.5333
MzDiff: none
Not Annotated 2.45 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000056703 Unreliable 795.5167 795.5167 ~ 795.5167
MzDiff: 0.0 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
2.94 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000055555 Unreliable 795.5203 795.52 ~ 795.5205
MzDiff: 1.9 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
2.65 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043733 Unreliable 795.5214 795.5214 ~ 795.5214
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
1.34 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062535 Unreliable 795.5321 795.532 ~ 795.5323
MzDiff: 1.0 ppm
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
4.52 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000026892 Unreliable 795.5183 795.5183 ~ 795.5183
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
1.78 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000056179 Unavailable 795.5205 795.5205 ~ 795.5205
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000002965 Unavailable 795.5296 795.5296 ~ 795.5296
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
-0.7 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003554 Unavailable 795.5296 795.5296 ~ 795.5296
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
-0.59 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004805 Unreliable 795.5296 795.5296 ~ 795.5296
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
1.82 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005537 Unreliable 795.5296 795.5296 ~ 795.5296
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
1.24 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000059053 Unavailable 795.5304 795.5304 ~ 795.5304
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
-0.65 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059441 Unreliable 795.5304 795.5304 ~ 795.5304
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
1.15 (100%) Mus musculus
[UBERON:0002298] brainstem

Found 20 Sample Hits
Metabolite Species Sample
PS(15:0/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C43H74NO10P (795.505)
Adducts: [M-H2O+NH4]+ (Ppm: 12.3)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 13)
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.

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 9.1)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PG(a-17:0/18:1(12Z)-2OH(9,10))

Formula: C41H79O12P (794.5309)
Adducts: [M+H]+ (Ppm: 15.4)
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).

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 8.4)
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).

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 9.1)
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).

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 5.8)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 10.9)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 11)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 10.2)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C44H75O10P (794.5098)
Adducts: [M+H]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 10.4)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 10.5)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 11.4)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 10.7)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 11)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C44H75O10P (794.5098)
Adducts: [M+H]+ (Ppm: 2.5)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 11.6)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 12.6)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M+H]+ (Ppm: 12)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description