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 826.595
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007375 Reliable 826.5957 826.5954 ~ 826.596
MzDiff: 2.1 ppm
SM(d20:1/PGE2) (BioDeep_00000215719)
Formula: C45H83N2O9P (826.5836)
5.13 (50%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000020451 Unreliable 826.5895 826.5893 ~ 826.5897
MzDiff: 1.4 ppm
LacCer(d18:1/16:0) (BioDeep_00000028300)
Formula: C46H87NO13 (861.6177)
2.58 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000009154 Unreliable 826.5871 826.5871 ~ 826.5871
MzDiff: none
PC(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000211199)
Formula: C46H84NO9P (825.5883)
3.03 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000008764 826.5958 826.5957 ~ 826.596
MzDiff: 1.0 ppm
PC(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018533)
Formula: C50H88NO8P (861.6247)
2 (50%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000009115 Unreliable 826.5961 826.5961 ~ 826.5961
MzDiff: none
LacCer(d18:1/16:0) (BioDeep_00002055403)
Formula: C46H87NO13 (861.6177)
3.07 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000007545 Unreliable 826.6018 826.6018 ~ 826.6018
MzDiff: none
Not Annotated 2.97 (%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000009063 Unreliable 826.6049 826.6049 ~ 826.6049
MzDiff: none
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
3.11 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000029107 Unreliable 826.5869 826.5869 ~ 826.5869
MzDiff: none
PC(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000211199)
Formula: C46H84NO9P (825.5883)
1.99 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000031041 Unreliable 826.5869 826.5869 ~ 826.5869
MzDiff: none
PC(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000211199)
Formula: C46H84NO9P (825.5883)
0.21 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031772 Unavailable 826.5869 826.5869 ~ 826.5869
MzDiff: none
PC(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000211199)
Formula: C46H84NO9P (825.5883)
-0.13 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000000655 Unavailable 826.5871 826.5871 ~ 826.5871
MzDiff: none
PC(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000211199)
Formula: C46H84NO9P (825.5883)
-0.53 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028556 Unreliable 826.592 826.592 ~ 826.592
MzDiff: none
LacCer(d18:1/16:0) (BioDeep_00000028300)
Formula: C46H87NO13 (861.6177)
0.89 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029390 Unreliable 826.592 826.592 ~ 826.592
MzDiff: none
LacCer(d18:1/16:0) (BioDeep_00000028300)
Formula: C46H87NO13 (861.6177)
1.06 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000031035 Unreliable 826.592 826.592 ~ 826.592
MzDiff: none
LacCer(d18:1/16:0) (BioDeep_00000028300)
Formula: C46H87NO13 (861.6177)
0.22 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000000695 Unavailable 826.5961 826.5961 ~ 826.5961
MzDiff: none
LacCer(d18:1/16:0) (BioDeep_00002055403)
Formula: C46H87NO13 (861.6177)
-0.56 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028522 Unreliable 826.5973 826.5973 ~ 826.5973
MzDiff: none
SM(d20:1/PGE2) (BioDeep_00000215719)
Formula: C45H83N2O9P (826.5836)
0.96 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029359 Unreliable 826.5973 826.5973 ~ 826.5973
MzDiff: none
SM(d20:1/PGE2) (BioDeep_00000215719)
Formula: C45H83N2O9P (826.5836)
1.18 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000044235 Unreliable 826.5997 826.5997 ~ 826.5997
MzDiff: none
PC(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000211199)
Formula: C46H84NO9P (825.5883)
0.56 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000000715 Unavailable 826.6049 826.6049 ~ 826.6049
MzDiff: none
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019273)
Formula: C45H74NO8P (787.5152)
-0.56 (100%) Mus musculus
[CL:0000066] epithelial cell

Found 18 Sample Hits
Metabolite Species Sample
LacCer(d18:1/16:0)

Formula: C46H87NO13 (861.6177)
Adducts: [M+H-2H2O]+ (Ppm: 9.4)
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.

LacCer(d18:1/16:0)

Formula: C46H87NO13 (861.6177)
Adducts: [M+H-2H2O]+ (Ppm: 15.8)
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.

SM(d20:1/PGE2)

Formula: C45H83N2O9P (826.5836)
Adducts: [M-H2O+NH4]+ (Ppm: 13)
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(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C50H88NO8P (861.6247)
Adducts: [M+H-2H2O]+ (Ppm: 17.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

SM(d20:1/PGE2)

Formula: C45H83N2O9P (826.5836)
Adducts: [M-H2O+NH4]+ (Ppm: 12.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PC(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C50H88NO8P (861.6247)
Adducts: [M+H-2H2O]+ (Ppm: 18)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

LacCer(d18:1/16:0)

Formula: C46H87NO13 (861.6177)
Adducts: [M+H-2H2O]+ (Ppm: 9.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

SM(d20:1/PGE2)

Formula: C45H83N2O9P (826.5836)
Adducts: [M-H2O+NH4]+ (Ppm: 13.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

SM(d20:1/PGE2)

Formula: C45H83N2O9P (826.5836)
Adducts: [M-H2O+NH4]+ (Ppm: 13.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

SM(d20:1/PGE2)

Formula: C45H83N2O9P (826.5836)
Adducts: [M-H2O+NH4]+ (Ppm: 14)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

LacCer(d18:1/16:0)

Formula: C46H87NO13 (861.6177)
Adducts: [M+H-2H2O]+ (Ppm: 10.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

SM(d20:1/PGE2)

Formula: C45H83N2O9P (826.5836)
Adducts: [M-H2O+NH4]+ (Ppm: 12.6)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

LacCer(d18:1/16:0)

Formula: C46H87NO13 (861.6177)
Adducts: [M+H-2H2O]+ (Ppm: 6.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

SM(d20:1/PGE2)

Formula: C45H83N2O9P (826.5836)
Adducts: [M-H2O+NH4]+ (Ppm: 13.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

SM(d20:1/PGE2)

Formula: C45H83N2O9P (826.5836)
Adducts: [M-H2O+NH4]+ (Ppm: 11.6)
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

LacCer(d18:1/16:0)

Formula: C46H87NO13 (861.6177)
Adducts: [M+H-2H2O]+ (Ppm: 15.1)
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).

LacCer(d18:1/16:0)

Formula: C46H87NO13 (861.6177)
Adducts: [M+H-2H2O]+ (Ppm: 9.4)
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).

PC(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C50H88NO8P (861.6247)
Adducts: [M+H-2H2O]+ (Ppm: 16.1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description