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 9 Reference Ions Near m/z 742.5138
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006930 Reliable 742.5237 742.5233 ~ 742.5239
MzDiff: 2.4 ppm
Nigericin (BioDeep_00000181668)
Formula: C40H68O11 (724.4761)
6.04 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000011391 Unreliable 742.5091 742.5091 ~ 742.5091
MzDiff: none
PE(15:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000185770)
Formula: C40H72NO9P (741.4944)
0.59 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011354 Unreliable 742.5166 742.5166 ~ 742.5166
MzDiff: none
(3s,6r,9s,12r,15s,18r)-3-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (BioDeep_00002155362)
Formula: C37H57N3O10 (703.4044)
0.82 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000052457 Unreliable 742.5231 742.5231 ~ 742.5231
MzDiff: none
Nigericin (BioDeep_00000181668)
Formula: C40H68O11 (724.4761)
1.99 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000000101 Unreliable 742.5091 742.5091 ~ 742.5091
MzDiff: none
PE(15:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000185770)
Formula: C40H72NO9P (741.4944)
2.04 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000145 Unreliable 742.5166 742.5166 ~ 742.5166
MzDiff: none
(3s,6r,9s,12r,15s,18r)-3-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (BioDeep_00002155362)
Formula: C37H57N3O10 (703.4044)
1.93 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000001392 Unavailable 742.5193 742.5193 ~ 742.5193
MzDiff: none
(3e,5e,7e,9e,11s,12r,13z,15e,17e,19e,21e,24r)-12-{[(2r,3s,4s,5s)-3-amino-5-{[(2r,5r,6s)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4-hydroxyoxan-2-yl]oxy}-5,11,17,21,24-pentamethyl-3-(2-methylbutyl)-1-azacyclotetracosa-1,3,5,7,9,13,15,17,19,21-decaene-2,11-diol (BioDeep_00002310927)
Formula: C46H71N3O7 (777.5292)
-0.65 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001870 Unavailable 742.5193 742.5193 ~ 742.5193
MzDiff: none
(3e,5e,7e,9e,11s,12r,13z,15e,17e,19e,21e,24r)-12-{[(2r,3s,4s,5s)-3-amino-5-{[(2r,5r,6s)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4-hydroxyoxan-2-yl]oxy}-5,11,17,21,24-pentamethyl-3-(2-methylbutyl)-1-azacyclotetracosa-1,3,5,7,9,13,15,17,19,21-decaene-2,11-diol (BioDeep_00002310927)
Formula: C46H71N3O7 (777.5292)
-0.69 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002327 Unavailable 742.5193 742.5193 ~ 742.5193
MzDiff: none
(3e,5e,7e,9e,11s,12r,13z,15e,17e,19e,21e,24r)-12-{[(2r,3s,4s,5s)-3-amino-5-{[(2r,5r,6s)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4-hydroxyoxan-2-yl]oxy}-5,11,17,21,24-pentamethyl-3-(2-methylbutyl)-1-azacyclotetracosa-1,3,5,7,9,13,15,17,19,21-decaene-2,11-diol (BioDeep_00002310927)
Formula: C46H71N3O7 (777.5292)
-0.68 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney

Found 7 Sample Hits
Metabolite Species Sample
(3s,6r,9s,12r,15s,18r)-3-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Formula: C37H57N3O10 (703.4044)
Adducts: [M+K]+ (Ppm: 19.5)
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.

(3e,5e,7e,9e,11s,12r,13z,15e,17e,19e,21e,24r)-12-{[(2r,3s,4s,5s)-3-amino-5-{[(2r,5r,6s)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4-hydroxyoxan-2-yl]oxy}-5,11,17,21,24-pentamethyl-3-(2-methylbutyl)-1-azacyclotetracosa-1,3,5,7,9,13,15,17,19,21-decaene-2,11-diol

Formula: C46H71N3O7 (777.5292)
Adducts: [M+H-2H2O]+ (Ppm: 5.4)
Mus musculus (Kidney)
FULL_MS_centriod_CHCA_20210819
Resolution: 17μm, 638x437

Description

AP-MALDI instrument demo test, mass spectrum scan in centroid mode.

PE(18:1/18:2)

Formula: C41H76NO8P (741.5308)
Adducts: [M+H]+ (Ppm: 5.3)
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.

Nigericin

Formula: C40H68O11 (724.4761)
Adducts: [M+NH4]+ (Ppm: 0.4)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

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

Formula: C40H72NO9P (741.4944)
Adducts: [M+H]+ (Ppm: 13.3)
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).

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

Formula: C40H72NO9P (741.4944)
Adducts: [M+H]+ (Ppm: 16.3)
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).

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

Formula: C40H72NO9P (741.4944)
Adducts: [M+H]+ (Ppm: 14.7)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description