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 12 Reference Ions Near m/z 769.5176
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006358 Reliable 769.5155 769.5153 ~ 769.5156
MzDiff: 1.5 ppm
SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215280)
Formula: C41H73N2O9P (768.5053)
8.41 (73%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000011640 Unavailable 769.5256 769.5256 ~ 769.5256
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/14:0) (BioDeep_00000032547)
Formula: C38H73NO11S (751.4904)
-1.77 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000047422 Unreliable 769.5138 769.5138 ~ 769.5138
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/14:0) (BioDeep_00000032547)
Formula: C38H73NO11S (751.4904)
2.3 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052139 Unreliable 769.5097 769.5097 ~ 769.5097
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/14:0) (BioDeep_00000032547)
Formula: C38H73NO11S (751.4904)
2.31 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052378 Unreliable 769.5169 769.5169 ~ 769.5169
MzDiff: none
SM(d18:2(4E,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215585)
Formula: C45H77N2O8P (804.5417)
2.12 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000009186 Unreliable 769.5256 769.5256 ~ 769.5256
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/14:0) (BioDeep_00000032547)
Formula: C38H73NO11S (751.4904)
2.99 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000020537 769.5076 769.5075 ~ 769.5078
MzDiff: 1.3 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
2.05 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000062579 Unreliable 769.5085 769.5084 ~ 769.5085
MzDiff: 0.3 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
4.48 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000000437 Unavailable 769.5256 769.5256 ~ 769.5256
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/14:0) (BioDeep_00000032547)
Formula: C38H73NO11S (751.4904)
-0.1 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000029480 Unreliable 769.5237 769.5237 ~ 769.5237
MzDiff: none
Not Annotated 0.74 (0%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000031131 Unreliable 769.512 769.512 ~ 769.512
MzDiff: none
SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215280)
Formula: C41H73N2O9P (768.5053)
2.33 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000061785 Unavailable 769.5085 769.5085 ~ 769.5085
MzDiff: none
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
-0.4 (100%) Mus musculus
[UBERON:0000956] cerebral cortex

Found 8 Sample Hits
Metabolite Species Sample
3-O-Sulfogalactosylceramide (d18:1/14:0)

Formula: C38H73NO11S (751.4904)
Adducts: [M+NH4]+ (Ppm: 1.8)
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C41H73N2O9P (768.5053)
Adducts: [M+H]+ (Ppm: 3.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C41H73N2O9P (768.5053)
Adducts: [M+H]+ (Ppm: 4.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

3-O-Sulfogalactosylceramide (d18:1/14:0)

Formula: C38H73NO11S (751.4904)
Adducts: [M+NH4]+ (Ppm: 13.6)
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).

PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C42H73O10P (768.4941)
Adducts: [M+H]+ (Ppm: 16.5)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

m/z_769.5211

Formula: - (n/a)
Adducts: (Ppm: 0)
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).

SM(d18:2(4E,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C45H77N2O8P (804.5417)
Adducts: [M+H-2H2O]+ (Ppm: 14.3)
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).

3-O-Sulfogalactosylceramide (d18:1/14:0)

Formula: C38H73NO11S (751.4904)
Adducts: [M+NH4]+ (Ppm: 8.6)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description