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 782.5849
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007590 Unreliable 782.5777 782.5776 ~ 782.5778
MzDiff: 0.7 ppm
PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z)) (BioDeep_00000029945)
Formula: C48H84NO7P (817.5985)
3.14 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000009037 Unreliable 782.5932 782.5932 ~ 782.5932
MzDiff: none
PE(22:2(13Z,16Z)/P-18:1(11Z)) (BioDeep_00000030784)
Formula: C45H84NO7P (781.5985)
3.13 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009118 Unreliable 782.5849 782.5849 ~ 782.5849
MzDiff: none
(2s,3s)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-(tetradecanoyloxy)butyl tetradecanoate (BioDeep_00002139199)
Formula: C48H78O8 (782.5696)
3.06 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009131 Unreliable 782.5766 782.5766 ~ 782.5766
MzDiff: none
PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z)) (BioDeep_00000029945)
Formula: C48H84NO7P (817.5985)
3.05 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000021285 Unreliable 782.5792 782.5792 ~ 782.5792
MzDiff: none
PG(a-13:0/i-22:0) (BioDeep_00000109002)
Formula: C41H81O10P (764.5567)
1.31 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000000514 Unavailable 782.5766 782.5766 ~ 782.5766
MzDiff: none
PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z)) (BioDeep_00000029945)
Formula: C48H84NO7P (817.5985)
-0.34 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000521 Unavailable 782.5849 782.5849 ~ 782.5849
MzDiff: none
(2s,3s)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-(tetradecanoyloxy)butyl tetradecanoate (BioDeep_00002139199)
Formula: C48H78O8 (782.5696)
-0.36 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000567 Unavailable 782.5932 782.5932 ~ 782.5932
MzDiff: none
PE(22:2(13Z,16Z)/P-18:1(11Z)) (BioDeep_00000030784)
Formula: C45H84NO7P (781.5985)
-0.44 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028564 Unreliable 782.5888 782.5888 ~ 782.5888
MzDiff: none
PE(P-18:0/20:0) (BioDeep_00000018583)
Formula: C43H86NO7P (759.6142)
0.86 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029574 Unreliable 782.5793 782.5793 ~ 782.5793
MzDiff: none
PG(a-13:0/i-22:0) (BioDeep_00000109002)
Formula: C41H81O10P (764.5567)
0.33 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030265 Unreliable 782.5793 782.5793 ~ 782.5793
MzDiff: none
PG(a-13:0/i-22:0) (BioDeep_00000109002)
Formula: C41H81O10P (764.5567)
2.02 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030586 Unreliable 782.5888 782.5888 ~ 782.5888
MzDiff: none
PE(P-18:0/20:0) (BioDeep_00000018583)
Formula: C43H86NO7P (759.6142)
1.49 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000044068 Unreliable 782.5759 782.5759 ~ 782.5759
MzDiff: none
Not Annotated 1.59 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000044135 Unreliable 782.5929 782.5929 ~ 782.5929
MzDiff: none
PE(22:2(13Z,16Z)/P-18:1(11Z)) (BioDeep_00000030784)
Formula: C45H84NO7P (781.5985)
1.26 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000049883 Unreliable 782.5779 782.5779 ~ 782.5779
MzDiff: none
PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z)) (BioDeep_00000029945)
Formula: C48H84NO7P (817.5985)
1.42 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000051026 Unreliable 782.5779 782.5779 ~ 782.5779
MzDiff: none
PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z)) (BioDeep_00000029945)
Formula: C48H84NO7P (817.5985)
0.27 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000061654 Unavailable 782.5779 782.5779 ~ 782.5779
MzDiff: none
SM(d18:0/PGJ2) (BioDeep_00000215463)
Formula: C43H79N2O8P (782.5574)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062303 Unavailable 782.5779 782.5779 ~ 782.5779
MzDiff: none
SM(d18:0/PGJ2) (BioDeep_00000215463)
Formula: C43H79N2O8P (782.5574)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062736 Unavailable 782.5779 782.5779 ~ 782.5779
MzDiff: none
SM(d18:0/PGJ2) (BioDeep_00000215463)
Formula: C43H79N2O8P (782.5574)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 14 Sample Hits
Metabolite Species Sample
(2s,3s)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-(tetradecanoyloxy)butyl tetradecanoate

Formula: C48H78O8 (782.5696)
Adducts: [M-H2O+NH4]+ (Ppm: 10.2)
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.

m/z_782.587

Formula: - (n/a)
Adducts: (Ppm: 0)
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.

m/z_782.5845

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

m/z_782.5847

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

m/z_782.5832

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

m/z_782.5851

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))

Formula: C48H84NO7P (817.5985)
Adducts: [M+H-2H2O]+ (Ppm: 4.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PE(P-18:0/20:0)

Formula: C43H86NO7P (759.6142)
Adducts: [M+Na]+ (Ppm: 18)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

m/z_782.5834

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

Description

m/z_782.5872

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))

Formula: C48H84NO7P (817.5985)
Adducts: [M+H-2H2O]+ (Ppm: 2.2)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

PG(a-13:0/i-22:0)

Formula: C41H81O10P (764.5567)
Adducts: [M+NH4]+ (Ppm: 14.5)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

PG(a-13:0/i-22:0)

Formula: C41H81O10P (764.5567)
Adducts: [M+NH4]+ (Ppm: 14.4)
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-18:0/20:0)

Formula: C43H86NO7P (759.6142)
Adducts: [M+Na]+ (Ppm: 18.6)
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