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 22 Reference Ions Near m/z 797.5455
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000057876 Reliable 797.5355 797.5351 ~ 797.5359
MzDiff: 3.4 ppm
PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019283)
Formula: C44H77O10P (796.5254)
8.21 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043488 Reliable 797.5366 797.5362 ~ 797.5369
MzDiff: 3.0 ppm
PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019283)
Formula: C44H77O10P (796.5254)
7.98 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043755 Unreliable 797.5367 797.5362 ~ 797.5369
MzDiff: 3.0 ppm
PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019283)
Formula: C44H77O10P (796.5254)
5 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047319 Unreliable 797.5427 797.5427 ~ 797.5427
MzDiff: none
SM(d18:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215534)
Formula: C43H77N2O9P (796.5366)
2.39 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047472 Unreliable 797.5501 797.5501 ~ 797.5501
MzDiff: none
Not Annotated 2.27 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052150 Unreliable 797.5455 797.5455 ~ 797.5455
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/16:0) (BioDeep_00000032548)
Formula: C40H77NO11S (779.5217)
2.3 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052191 Unreliable 797.5531 797.5531 ~ 797.5531
MzDiff: none
Not Annotated 2.28 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052225 Unreliable 797.538 797.538 ~ 797.538
MzDiff: none
PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019283)
Formula: C44H77O10P (796.5254)
2.26 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000009169 Unreliable 797.5508 797.5508 ~ 797.5508
MzDiff: none
(1r,3as,3bs,7r,9ar,9bs,11ar)-1-[(2r)-6-ethyl-5-methylideneoctan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl (9e,17e)-18-bromooctadeca-9,17-dien-7,15-diynoate (BioDeep_00002252073)
Formula: C48H71BrO2 (758.4637)
3.01 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009178 Unreliable 797.5423 797.5423 ~ 797.5423
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/16:0) (BioDeep_00000032548)
Formula: C40H77NO11S (779.5217)
3 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000021532 Unreliable 797.5371 797.5371 ~ 797.5371
MzDiff: none
PS(22:4(7Z,10Z,13Z,16Z)/15:0) (BioDeep_00000105146)
Formula: C43H76NO10P (797.5207)
0.85 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000065356 Unreliable 797.5362 797.5362 ~ 797.5362
MzDiff: none
PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019283)
Formula: C44H77O10P (796.5254)
2.08 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000065763 Unreliable 797.5425 797.5425 ~ 797.5425
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/16:0) (BioDeep_00000032548)
Formula: C40H77NO11S (779.5217)
1.32 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000000614 Unavailable 797.5423 797.5423 ~ 797.5423
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/16:0) (BioDeep_00000032548)
Formula: C40H77NO11S (779.5217)
-0.5 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000649 Unavailable 797.5508 797.5508 ~ 797.5508
MzDiff: none
(1r,3as,3bs,7r,9ar,9bs,11ar)-1-[(2r)-6-ethyl-5-methylideneoctan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl (9e,17e)-18-bromooctadeca-9,17-dien-7,15-diynoate (BioDeep_00002252073)
Formula: C48H71BrO2 (758.4637)
-0.53 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000004104 Unreliable 797.5497 797.5497 ~ 797.5497
MzDiff: none
PS(22:4(7Z,10Z,13Z,16Z)/15:0) (BioDeep_00000105146)
Formula: C43H76NO10P (797.5207)
1.04 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000028463 Unreliable 797.5378 797.5378 ~ 797.5378
MzDiff: none
PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019283)
Formula: C44H77O10P (796.5254)
1.07 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028666 Unreliable 797.5465 797.5465 ~ 797.5465
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/16:0) (BioDeep_00000032548)
Formula: C40H77NO11S (779.5217)
0.65 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029385 Unreliable 797.5465 797.5465 ~ 797.5465
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/16:0) (BioDeep_00000032548)
Formula: C40H77NO11S (779.5217)
1.07 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029459 Unreliable 797.5378 797.5378 ~ 797.5378
MzDiff: none
PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019283)
Formula: C44H77O10P (796.5254)
0.83 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000031016 Unreliable 797.5465 797.5465 ~ 797.5465
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/16:0) (BioDeep_00000032548)
Formula: C40H77NO11S (779.5217)
0.27 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000056232 Unavailable 797.5374 797.5374 ~ 797.5374
MzDiff: none
PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019283)
Formula: C44H77O10P (796.5254)
-0.58 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 15 Sample Hits
Metabolite Species Sample
(1r,3as,3bs,7r,9ar,9bs,11ar)-1-[(2r)-6-ethyl-5-methylideneoctan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl (9e,17e)-18-bromooctadeca-9,17-dien-7,15-diynoate

Formula: C48H71BrO2 (758.4637)
Adducts: [M+K]+ (Ppm: 13.4)
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.

PS(22:4(7Z,10Z,13Z,16Z)/15:0)

Formula: C43H76NO10P (797.5207)
Adducts: [M-H2O+NH4]+ (Ppm: 5.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

3-O-Sulfogalactosylceramide (d18:1/16:0)

Formula: C40H77NO11S (779.5217)
Adducts: [M+NH4]+ (Ppm: 11.3)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

3-O-Sulfogalactosylceramide (d18:1/16:0)

Formula: C40H77NO11S (779.5217)
Adducts: [M+NH4]+ (Ppm: 10.7)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

SM(d18:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C43H77N2O9P (796.5366)
Adducts: [M+H]+ (Ppm: 1.5)
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).

m/z_797.5501

Formula: - (n/a)
Adducts: (Ppm: 0)
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-O-Sulfogalactosylceramide (d18:1/16:0)

Formula: C40H77NO11S (779.5217)
Adducts: [M+NH4]+ (Ppm: 11.7)
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-O-Sulfogalactosylceramide (d18:1/16:0)

Formula: C40H77NO11S (779.5217)
Adducts: [M+NH4]+ (Ppm: 12.6)
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).

m/z_797.5482

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

3-O-Sulfogalactosylceramide (d18:1/16:0)

Formula: C40H77NO11S (779.5217)
Adducts: [M+NH4]+ (Ppm: 11.8)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z))

Formula: C44H77O10P (796.5254)
Adducts: [M+H]+ (Ppm: 5)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

3-O-Sulfogalactosylceramide (d18:1/16:0)

Formula: C40H77NO11S (779.5217)
Adducts: [M+NH4]+ (Ppm: 14.5)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

3-O-Sulfogalactosylceramide (d18:1/16:0)

Formula: C40H77NO11S (779.5217)
Adducts: [M+NH4]+ (Ppm: 16.3)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

3-O-Sulfogalactosylceramide (d18:1/16:0)

Formula: C40H77NO11S (779.5217)
Adducts: [M+NH4]+ (Ppm: 14.2)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description

PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z))

Formula: C44H77O10P (796.5254)
Adducts: [M+H]+ (Ppm: 15.8)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB