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 21 Reference Ions Near m/z 770.5789
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055485 Reliable 770.5725 770.5721 ~ 770.5729
MzDiff: 3.5 ppm
PC(15:0/20:3(5Z,8Z,11Z)) (BioDeep_00000029262)
Formula: C43H80NO8P (769.5621)
14.96 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043128 Reliable 770.5725 770.5722 ~ 770.5729
MzDiff: 2.9 ppm
PC(15:0/20:3(5Z,8Z,11Z)) (BioDeep_00000029262)
Formula: C43H80NO8P (769.5621)
4.2 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043290 Reliable 770.5706 770.5702 ~ 770.5709
MzDiff: 3.1 ppm
PC(15:0/20:3(5Z,8Z,11Z)) (BioDeep_00000029262)
Formula: C43H80NO8P (769.5621)
5.99 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063121 Unreliable 770.5758 770.5758 ~ 770.5758
MzDiff: none
SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000215364)
Formula: C42H79N2O8P (770.5574)
1.39 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000011406 Unreliable 770.5754 770.5754 ~ 770.5754
MzDiff: none
SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000215364)
Formula: C42H79N2O8P (770.5574)
0.52 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011411 Unreliable 770.5833 770.5833 ~ 770.5833
MzDiff: none
Not Annotated 0.5 (0%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000047066 Unreliable 770.5708 770.5708 ~ 770.5708
MzDiff: none
PC(15:0/20:3(5Z,8Z,11Z)) (BioDeep_00000029262)
Formula: C43H80NO8P (769.5621)
2.89 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047096 Unreliable 770.578 770.578 ~ 770.578
MzDiff: none
SM(d18:0/20:3(6,8,11)-OH(5)) (BioDeep_00000215496)
Formula: C43H83N2O7P (770.5938)
2.81 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047232 Unreliable 770.5851 770.5851 ~ 770.5851
MzDiff: none
Not Annotated 2.52 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051738 Unreliable 770.5775 770.5775 ~ 770.5775
MzDiff: none
SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000215364)
Formula: C42H79N2O8P (770.5574)
2.51 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052294 Unreliable 770.5847 770.5847 ~ 770.5847
MzDiff: none
SM(d18:0/20:3(6,8,11)-OH(5)) (BioDeep_00000215496)
Formula: C43H83N2O7P (770.5938)
2.22 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000057165 Unreliable 770.5708 770.5707 ~ 770.5709
MzDiff: 1.1 ppm
PC(15:0/20:3(5Z,8Z,11Z)) (BioDeep_00000029262)
Formula: C43H80NO8P (769.5621)
1.09 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000065393 Unreliable 770.5705 770.5704 ~ 770.5707
MzDiff: 1.0 ppm
PC(15:0/20:3(5Z,8Z,11Z)) (BioDeep_00000029262)
Formula: C43H80NO8P (769.5621)
2.76 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000000078 Unreliable 770.5833 770.5833 ~ 770.5833
MzDiff: none
Not Annotated 2.1 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000080 Unreliable 770.5754 770.5754 ~ 770.5754
MzDiff: none
SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000215364)
Formula: C42H79N2O8P (770.5574)
2.09 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028128 Unreliable 770.5764 770.5764 ~ 770.5764
MzDiff: none
SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000215364)
Formula: C42H79N2O8P (770.5574)
1.9 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029680 Unavailable 770.5764 770.5764 ~ 770.5764
MzDiff: none
SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000215364)
Formula: C42H79N2O8P (770.5574)
-0.1 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000055916 Unavailable 770.5732 770.5732 ~ 770.5732
MzDiff: none
PC(15:0/20:3(5Z,8Z,11Z)) (BioDeep_00000029262)
Formula: C43H80NO8P (769.5621)
-0.34 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000061640 Unavailable 770.5789 770.5789 ~ 770.5789
MzDiff: none
SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000215364)
Formula: C42H79N2O8P (770.5574)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062318 Unavailable 770.5789 770.5789 ~ 770.5789
MzDiff: none
SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000215364)
Formula: C42H79N2O8P (770.5574)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062753 Unavailable 770.5789 770.5789 ~ 770.5789
MzDiff: none
SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000215364)
Formula: C42H79N2O8P (770.5574)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 13 Sample Hits
Metabolite Species Sample
m/z_770.5833

Formula: - (n/a)
Adducts: (Ppm: 0)
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(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C42H79N2O8P (770.5574)
Adducts: [M-H2O+NH4]+ (Ppm: 4.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C42H79N2O8P (770.5574)
Adducts: [M-H2O+NH4]+ (Ppm: 3.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C42H79N2O8P (770.5574)
Adducts: [M-H2O+NH4]+ (Ppm: 3.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C42H79N2O8P (770.5574)
Adducts: [M-H2O+NH4]+ (Ppm: 3.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C42H79N2O8P (770.5574)
Adducts: [M-H2O+NH4]+ (Ppm: 4.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C42H79N2O8P (770.5574)
Adducts: [M-H2O+NH4]+ (Ppm: 5.5)
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

SM(d18:0/20:3(6,8,11)-OH(5))

Formula: C43H83N2O7P (770.5938)
Adducts: [M]+ (Ppm: 19.7)
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).

SM(d18:0/20:3(6,8,11)-OH(5))

Formula: C43H83N2O7P (770.5938)
Adducts: [M]+ (Ppm: 19.6)
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).

SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C42H79N2O8P (770.5574)
Adducts: [M-H2O+NH4]+ (Ppm: 4.1)
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).

SM(d18:0/20:3(6,8,11)-OH(5))

Formula: C43H83N2O7P (770.5938)
Adducts: [M]+ (Ppm: 17.1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PC(15:0/20:3(5Z,8Z,11Z))

Formula: C43H80NO8P (769.5621)
Adducts: [M+H]+ (Ppm: 4.9)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

SM(d17:1/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C42H79N2O8P (770.5574)
Adducts: [M-H2O+NH4]+ (Ppm: 2.3)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description