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 18 Reference Ions Near m/z 580.1172
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011114 Unreliable 580.126 580.126 ~ 580.126
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
2.05 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011127 Unreliable 580.1172 580.1172 ~ 580.1172
MzDiff: none
(1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide (BioDeep_00000177335)
Formula: C23H23Cl2F3N4O3S (562.082)
1.98 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000053954 Unreliable 580.1091 580.109 ~ 580.1093
MzDiff: 1.2 ppm
(2r,3s,4s)-4-(benzylsulfanyl)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (BioDeep_00002071123)
Formula: C29H24O11S (580.1039)
3.78 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000010640 Unavailable 580.1088 580.1087 ~ 580.1088
MzDiff: 0.1 ppm
Epitheaflavic acid 3'-gallate (BioDeep_00000025951)
Formula: C28H20O14 (580.0853)
-2.21 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000009341 Unavailable 580.1172 580.1172 ~ 580.1172
MzDiff: none
(1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide (BioDeep_00000177335)
Formula: C23H23Cl2F3N4O3S (562.082)
-0.07 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009375 Unavailable 580.126 580.126 ~ 580.126
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
-0.23 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000012179 Unavailable 580.1088 580.1088 ~ 580.1088
MzDiff: none
Epitheaflavic acid 3'-gallate (BioDeep_00000025951)
Formula: C28H20O14 (580.0853)
-0.98 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000054656 Unreliable 580.1091 580.1091 ~ 580.1091
MzDiff: none
Epitheaflavic acid 3'-gallate (BioDeep_00000025951)
Formula: C28H20O14 (580.0853)
1.86 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000004118 Unreliable 580.1083 580.1083 ~ 580.1083
MzDiff: none
Epitheaflavic acid 3'-gallate (BioDeep_00000025951)
Formula: C28H20O14 (580.0853)
1.02 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000012747 Unavailable 580.1088 580.1088 ~ 580.1088
MzDiff: none
Epitheaflavic acid 3'-gallate (BioDeep_00000025951)
Formula: C28H20O14 (580.0853)
-0.44 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014083 Unavailable 580.1088 580.1088 ~ 580.1088
MzDiff: none
Epitheaflavic acid 3'-gallate (BioDeep_00000025951)
Formula: C28H20O14 (580.0853)
-0.3 (100%) Plant
[PO:0005417] phloem
MSI_000015007 Unavailable 580.1088 580.1088 ~ 580.1088
MzDiff: none
Epitheaflavic acid 3'-gallate (BioDeep_00000025951)
Formula: C28H20O14 (580.0853)
-0.52 (100%) Plant
[PO:0006036] root epidermis
MSI_000018355 Unreliable 580.1088 580.1088 ~ 580.1088
MzDiff: none
Epitheaflavic acid 3'-gallate (BioDeep_00000025951)
Formula: C28H20O14 (580.0853)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000020053 Unavailable 580.1088 580.1088 ~ 580.1088
MzDiff: none
Epitheaflavic acid 3'-gallate (BioDeep_00000025951)
Formula: C28H20O14 (580.0853)
-0.52 (100%) Plant
[PO:0025197] stele
MSI_000033487 Unreliable 580.1082 580.1082 ~ 580.1082
MzDiff: none
(2r,3s,4s)-4-(benzylsulfanyl)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (BioDeep_00002071123)
Formula: C29H24O11S (580.1039)
1.93 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000036021 Unavailable 580.1082 580.1082 ~ 580.1082
MzDiff: none
(2r,3s,4s)-4-(benzylsulfanyl)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (BioDeep_00002071123)
Formula: C29H24O11S (580.1039)
-0.4 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000037186 Unreliable 580.1088 580.1088 ~ 580.1088
MzDiff: none
(2r,3s,4s)-4-(benzylsulfanyl)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (BioDeep_00002071123)
Formula: C29H24O11S (580.1039)
2.03 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000040053 Unreliable 580.109 580.109 ~ 580.109
MzDiff: none
(2r,3s,4s)-4-(benzylsulfanyl)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (BioDeep_00002071123)
Formula: C29H24O11S (580.1039)
0.13 (100%) Posidonia oceanica
[PO:0005417] phloem

Found 2 Sample Hits
Metabolite Species Sample
(1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide

Formula: C23H23Cl2F3N4O3S (562.082)
Adducts: [M+NH4]+ (Ppm: 2.4)
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.

Epitheaflavic acid 3'-gallate

Formula: C28H20O14 (580.0853)
Adducts: [M-H2O+NH4]+ (Ppm: 0.5)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description