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 783.5895
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000020233 Reliable 783.5826 783.5823 ~ 783.5829
MzDiff: 2.5 ppm
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
7.25 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000007359 Reliable 783.5826 783.5823 ~ 783.5829
MzDiff: 2.5 ppm
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
6.34 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007518 Reliable 783.5886 783.5883 ~ 783.5888
MzDiff: 1.8 ppm
SM(d19:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000215601)
Formula: C44H83N2O7P (782.5938)
6.07 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008920 Unreliable 783.5948 783.5948 ~ 783.5948
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
3.21 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000008952 Unreliable 783.5866 783.5866 ~ 783.5866
MzDiff: none
PC(P-16:0/20:4) (BioDeep_00000632205)
Formula: C44H80NO7P (765.5672)
3.19 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000643 Unavailable 783.5866 783.5866 ~ 783.5866
MzDiff: none
PC(P-16:0/20:4) (BioDeep_00000632205)
Formula: C44H80NO7P (765.5672)
-0.53 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000675 Unavailable 783.5948 783.5948 ~ 783.5948
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
-0.54 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028759 Unreliable 783.5816 783.5816 ~ 783.5816
MzDiff: none
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
0.41 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028799 Unreliable 783.5903 783.5903 ~ 783.5903
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
0.34 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028939 Unreliable 783.5984 783.5984 ~ 783.5984
MzDiff: none
PE(22:1(13Z)/P-18:1(11Z)) (BioDeep_00000030751)
Formula: C45H86NO7P (783.6142)
0.15 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029545 Unreliable 783.5816 783.5816 ~ 783.5816
MzDiff: none
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
0.46 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029676 Unavailable 783.5903 783.5903 ~ 783.5903
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
-0.08 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030457 Unreliable 783.5984 783.5984 ~ 783.5984
MzDiff: none
PE(22:1(13Z)/P-18:1(11Z)) (BioDeep_00000030751)
Formula: C45H86NO7P (783.6142)
1.74 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030609 Unreliable 783.5816 783.5816 ~ 783.5816
MzDiff: none
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
1.43 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030615 Unreliable 783.5903 783.5903 ~ 783.5903
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
1.43 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031574 Unreliable 783.5816 783.5816 ~ 783.5816
MzDiff: none
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
0.28 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031659 Unreliable 783.5903 783.5903 ~ 783.5903
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
0.07 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000043980 Unreliable 783.5961 783.5961 ~ 783.5961
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
2.12 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000061646 Unavailable 783.5842 783.5842 ~ 783.5842
MzDiff: none
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062312 Unavailable 783.5842 783.5842 ~ 783.5842
MzDiff: none
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062743 Unavailable 783.5842 783.5842 ~ 783.5842
MzDiff: none
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000063453 Unreliable 783.5811 783.5811 ~ 783.5811
MzDiff: none
PG(18:3(6Z,9Z,12Z)/16:0) (BioDeep_00000031723)
Formula: C40H73O10P (744.4941)
0.92 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 16 Sample Hits
Metabolite Species Sample
PC(P-16:0/20:4)

Formula: C44H80NO7P (765.5672)
Adducts: [M+NH4]+ (Ppm: 18.4)
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.

SM(d19:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H83N2O7P (782.5938)
Adducts: [M+H]+ (Ppm: 15.6)
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.

PC(16:0/20:3)

Formula: C44H82NO8P (783.5778)
Adducts: [M-H2O+NH4]+ (Ppm: 14.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PC(16:0/20:3)

Formula: C44H82NO8P (783.5778)
Adducts: [M-H2O+NH4]+ (Ppm: 15.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

SM(d19:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H83N2O7P (782.5938)
Adducts: [M+H]+ (Ppm: 16.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

SM(d19:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H83N2O7P (782.5938)
Adducts: [M+H]+ (Ppm: 16)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PA(20:1(11Z)/22:2(13Z,16Z))

Formula: C45H83O8P (782.5825)
Adducts: [M+H]+ (Ppm: 7.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

PC(16:0/20:3)

Formula: C44H82NO8P (783.5778)
Adducts: [M-H2O+NH4]+ (Ppm: 11.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

PC(16:0/20:3)

Formula: C44H82NO8P (783.5778)
Adducts: [M-H2O+NH4]+ (Ppm: 14.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

SM(d19:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H83N2O7P (782.5938)
Adducts: [M+H]+ (Ppm: 15.9)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

PA(20:1(11Z)/22:2(13Z,16Z))

Formula: C45H83O8P (782.5825)
Adducts: [M+H]+ (Ppm: 9.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

SM(d19:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H83N2O7P (782.5938)
Adducts: [M+H]+ (Ppm: 15.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

SM(d19:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H83N2O7P (782.5938)
Adducts: [M+H]+ (Ppm: 17.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

PC(16:0/20:3)

Formula: C44H82NO8P (783.5778)
Adducts: [M-H2O+NH4]+ (Ppm: 13.7)
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

PC(16:0/20:3)

Formula: C44H82NO8P (783.5778)
Adducts: [M-H2O+NH4]+ (Ppm: 12.6)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PA(20:1(11Z)/22:2(13Z,16Z))

Formula: C45H83O8P (782.5825)
Adducts: [M+H]+ (Ppm: 3.4)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description