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 769.5746
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006324 Reliable 769.5733 769.5731 ~ 769.5737
MzDiff: 2.8 ppm
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
11.65 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000011341 Unreliable 769.5662 769.5662 ~ 769.5662
MzDiff: none
PA(22:1(13Z)/19:2(10Z,13Z)) (BioDeep_00000107947)
Formula: C44H81O8P (768.5669)
0.92 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011345 Unreliable 769.5743 769.5743 ~ 769.5743
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
0.91 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011363 Unreliable 769.5822 769.5822 ~ 769.5822
MzDiff: none
(2r,3e)-2-hydroxy-n-[(2s,3r,4e,8e,10e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8,10-trien-2-yl]octadec-3-enimidic acid (BioDeep_00002178849)
Formula: C43H77NO9 (751.5598)
0.77 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000047240 Unreliable 769.571 769.571 ~ 769.571
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
2.51 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052241 Unreliable 769.576 769.576 ~ 769.576
MzDiff: none
PC(15:0/20:3(5Z,8Z,11Z)) (BioDeep_00000029262)
Formula: C43H80NO8P (769.5621)
2.25 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052304 Unreliable 769.5706 769.5706 ~ 769.5706
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
2.21 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000000121 Unreliable 769.5822 769.5822 ~ 769.5822
MzDiff: none
(2r,3e)-2-hydroxy-n-[(2s,3r,4e,8e,10e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8,10-trien-2-yl]octadec-3-enimidic acid (BioDeep_00002178849)
Formula: C43H77NO9 (751.5598)
2 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000136 Unreliable 769.5743 769.5743 ~ 769.5743
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
1.94 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000141 Unreliable 769.5662 769.5662 ~ 769.5662
MzDiff: none
PA(22:1(13Z)/19:2(10Z,13Z)) (BioDeep_00000107947)
Formula: C44H81O8P (768.5669)
1.94 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000027186 Unreliable 769.5658 769.5658 ~ 769.5658
MzDiff: none
Not Annotated 1.77 (0%) Mus musculus
[UBERON:0002048] lung
MSI_000028532 Unreliable 769.5676 769.5676 ~ 769.5676
MzDiff: none
PA(22:1(13Z)/19:2(10Z,13Z)) (BioDeep_00000107947)
Formula: C44H81O8P (768.5669)
0.95 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028542 Unreliable 769.5823 769.5823 ~ 769.5823
MzDiff: none
Not Annotated 0.93 (0%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028547 Unreliable 769.5751 769.5751 ~ 769.5751
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
0.92 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029404 Unreliable 769.5676 769.5676 ~ 769.5676
MzDiff: none
PA(22:1(13Z)/19:2(10Z,13Z)) (BioDeep_00000107947)
Formula: C44H81O8P (768.5669)
1 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030774 Unreliable 769.5751 769.5751 ~ 769.5751
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
1.03 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030805 Unreliable 769.5823 769.5823 ~ 769.5823
MzDiff: none
Not Annotated 0.95 (0%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031431 Unreliable 769.5676 769.5676 ~ 769.5676
MzDiff: none
PA(22:1(13Z)/19:2(10Z,13Z)) (BioDeep_00000107947)
Formula: C44H81O8P (768.5669)
0.81 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000061652 Unavailable 769.5744 769.5744 ~ 769.5744
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062306 Unavailable 769.5744 769.5744 ~ 769.5744
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062738 Unavailable 769.5744 769.5744 ~ 769.5744
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 18 Sample Hits
Metabolite Species Sample
PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 14.4)
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.

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 13.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_17
Resolution: 17μm, 208x108

Description

1 male adult wild-type rat was obtained from Inserm U1085 - Irset Research Institute (University of Rennes1, France). Animals were age 60 days and were reared under ad-lib conditions. Care and handling of all animals complied with EU directive 2010/63/EU on the protection of animals used for scientific purposes. The whole epididymis was excised from each animal immediately post-mortem, loosely wrapped rapidly in an aluminum foil and a 2.5% (w/v) carboxymethylcellulose (CMC) solution was poured to embed the epididymis to preserve their morphology. To remove air bubbles, the filled aluminum molds was gently freezed by depositing it on isopentane or dry ice, then on the nitrogen vapors and finally by progressively dipping the CMC/sample coated with aluminum foil into liquid nitrogen (or only flush with liquid nitrogen). Frozen tissues were stored at -80 °C until use to avoid degradation.

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 15.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 15.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 15.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 16)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 14.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

m/z_769.5794

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 14.9)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 14)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 15.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

PA(22:1(13Z)/19:2(10Z,13Z))

Formula: C44H81O8P (768.5669)
Adducts: [M+H]+ (Ppm: 8.5)
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

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 13.4)
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

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 18.7)
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).

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

Formula: C43H80NO8P (769.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 11.4)
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).

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

Formula: C43H80NO8P (769.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 12.2)
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_769.5731

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

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+NH4]+ (Ppm: 14.3)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description