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 19 Reference Ions Near m/z 796.5543
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055619 Reliable 796.5445 796.5441 ~ 796.5448
MzDiff: 2.9 ppm
PC(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000210937)
Formula: C44H78NO9P (795.5414)
6.42 (75%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047533 Unreliable 796.554 796.554 ~ 796.554
MzDiff: none
SM(d18:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215534)
Formula: C43H77N2O9P (796.5366)
2.24 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047640 Unreliable 796.5466 796.5466 ~ 796.5466
MzDiff: none
PC(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000210937)
Formula: C44H78NO9P (795.5414)
2.2 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051884 Unreliable 796.557 796.557 ~ 796.557
MzDiff: none
Not Annotated 2.4 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051925 Unreliable 796.549 796.549 ~ 796.549
MzDiff: none
PC(18:1/22:6) (BioDeep_00000019231)
Formula: C48H82NO8P (831.5778)
2.38 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000009148 Unreliable 796.5562 796.5562 ~ 796.5562
MzDiff: none
PC(18:1/22:6) (BioDeep_00000019231)
Formula: C48H82NO8P (831.5778)
3.04 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009187 Unreliable 796.5476 796.5476 ~ 796.5476
MzDiff: none
SM(d16:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215279)
Formula: C43H75N2O8P (778.5261)
2.99 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000021346 Unreliable 796.5473 796.5473 ~ 796.5473
MzDiff: none
SM(d16:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215279)
Formula: C43H75N2O8P (778.5261)
1.06 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000043784 Unreliable 796.5458 796.5458 ~ 796.5458
MzDiff: none
PC(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000210937)
Formula: C44H78NO9P (795.5414)
1.3 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000000508 Unavailable 796.5476 796.5476 ~ 796.5476
MzDiff: none
SM(d16:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215279)
Formula: C43H75N2O8P (778.5261)
-0.33 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000608 Unavailable 796.5562 796.5562 ~ 796.5562
MzDiff: none
PC(18:1/22:6) (BioDeep_00000019231)
Formula: C48H82NO8P (831.5778)
-0.5 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000002769 Unavailable 796.5624 796.5624 ~ 796.5624
MzDiff: none
PC(18:1/22:6) (BioDeep_00000019231)
Formula: C48H82NO8P (831.5778)
-0.42 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003432 Unavailable 796.5624 796.5624 ~ 796.5624
MzDiff: none
PC(18:1/22:6) (BioDeep_00000019231)
Formula: C48H82NO8P (831.5778)
-0.43 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004169 Unreliable 796.5461 796.5461 ~ 796.5461
MzDiff: none
PC(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000210937)
Formula: C44H78NO9P (795.5414)
0.94 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000004729 Unreliable 796.5624 796.5624 ~ 796.5624
MzDiff: none
PC(18:1/22:6) (BioDeep_00000019231)
Formula: C48H82NO8P (831.5778)
2.43 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005666 Unavailable 796.5624 796.5624 ~ 796.5624
MzDiff: none
PC(18:1/22:6) (BioDeep_00000019231)
Formula: C48H82NO8P (831.5778)
-0.42 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000009955 Unreliable 796.5459 796.5459 ~ 796.5459
MzDiff: none
PC(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000210937)
Formula: C44H78NO9P (795.5414)
1.95 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000044412 Unavailable 796.5468 796.5468 ~ 796.5468
MzDiff: none
PC(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000210937)
Formula: C44H78NO9P (795.5414)
-0.17 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000056187 Unreliable 796.5566 796.5566 ~ 796.5566
MzDiff: none
PA(22:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190542)
Formula: C45H81O9P (796.5618)
1.04 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 14 Sample Hits
Metabolite Species Sample
PC(18:1/22:6)

Formula: C48H82NO8P (831.5778)
Adducts: [M+H-2H2O]+ (Ppm: 9.7)
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.

PC(18:1/22:6)

Formula: C48H82NO8P (831.5778)
Adducts: [M+H-2H2O]+ (Ppm: 1.9)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PC(16:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C44H78NO9P (795.5414)
Adducts: [M+H]+ (Ppm: 7.8)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

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

Formula: C43H77N2O9P (796.5366)
Adducts: [M-H2O+NH4]+ (Ppm: 7.4)
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).

PC(18:1/22:6)

Formula: C48H82NO8P (831.5778)
Adducts: [M+H-2H2O]+ (Ppm: 15.6)
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).

PC(18:1/22:6)

Formula: C48H82NO8P (831.5778)
Adducts: [M+H-2H2O]+ (Ppm: 14.8)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

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

Formula: C43H77N2O9P (796.5366)
Adducts: [M-H2O+NH4]+ (Ppm: 3.1)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PC(16:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C44H78NO9P (795.5414)
Adducts: [M+H]+ (Ppm: 9.3)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PA(22:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C45H81O9P (796.5618)
Adducts: [M]+ (Ppm: 8.7)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PC(16:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C44H78NO9P (795.5414)
Adducts: [M+H]+ (Ppm: 5.8)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PC(16:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C44H78NO9P (795.5414)
Adducts: [M+H]+ (Ppm: 7.8)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

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

Formula: C43H77N2O9P (796.5366)
Adducts: [M-H2O+NH4]+ (Ppm: 4.6)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PA(22:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C45H81O9P (796.5618)
Adducts: [M]+ (Ppm: 5.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PC(16:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C44H78NO9P (795.5414)
Adducts: [M+H]+ (Ppm: 5.9)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description