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 20 Reference Ions Near m/z 581.1198
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000054316 Reliable 581.1123 581.1121 ~ 581.1127
MzDiff: 2.4 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)
2.72 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000011105 Unreliable 581.1198 581.1198 ~ 581.1198
MzDiff: none
3,5-Dicaffeoyl-4-succinoylquinic acid (BioDeep_00000025326)
Formula: C29H28O15 (616.1428)
2.11 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011206 Unreliable 581.1115 581.1115 ~ 581.1115
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
1.79 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011258 Unreliable 581.1269 581.1269 ~ 581.1269
MzDiff: none
Estramustine phosphate sodium (BioDeep_00000606575)
Formula: C23H30Cl2NNa2O6P (563.0983)
1.61 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000010518 Unavailable 581.1121 581.1121 ~ 581.1121
MzDiff: 0.1 ppm
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
-1.67 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000009392 Unavailable 581.1198 581.1198 ~ 581.1198
MzDiff: none
3,5-Dicaffeoyl-4-succinoylquinic acid (BioDeep_00000025326)
Formula: C29H28O15 (616.1428)
-0.27 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009473 Unavailable 581.1115 581.1115 ~ 581.1115
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
-0.5 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009478 Unavailable 581.1269 581.1269 ~ 581.1269
MzDiff: none
Estramustine phosphate sodium (BioDeep_00000606575)
Formula: C23H30Cl2NNa2O6P (563.0983)
-0.5 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000012187 Unavailable 581.1121 581.1121 ~ 581.1121
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
-0.99 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000054743 Unreliable 581.1126 581.1126 ~ 581.1126
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
1.77 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000000966 Unavailable 581.1269 581.1269 ~ 581.1269
MzDiff: none
Estramustine phosphate sodium (BioDeep_00000606575)
Formula: C23H30Cl2NNa2O6P (563.0983)
-0.86 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000012772 Unavailable 581.1122 581.1122 ~ 581.1122
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
-0.45 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014194 Unavailable 581.1122 581.1122 ~ 581.1122
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
-0.39 (100%) Plant
[PO:0005417] phloem
MSI_000014859 Unavailable 581.1122 581.1122 ~ 581.1122
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
-0.47 (100%) Plant
[PO:0006036] root epidermis
MSI_000018237 Unreliable 581.1122 581.1122 ~ 581.1122
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
1.79 (100%) Plant
[PO:0020124] root stele
MSI_000019841 Unavailable 581.1122 581.1122 ~ 581.1122
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
-0.47 (100%) Plant
[PO:0025197] stele
MSI_000033506 Unreliable 581.1116 581.1116 ~ 581.1116
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)
1.88 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000037227 Unreliable 581.1121 581.1121 ~ 581.1121
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 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000040104 Unreliable 581.1124 581.1124 ~ 581.1124
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)
0.05 (100%) Posidonia oceanica
[PO:0005417] phloem
MSI_000051352 Unreliable 581.1117 581.1117 ~ 581.1117
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
0 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 2 Sample Hits
Metabolite Species Sample
3,5-Dicaffeoyl-4-succinoylquinic acid

Formula: C29H28O15 (616.1428)
Adducts: [M+H-2H2O]+ (Ppm: 15.8)
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.

Urolithin A 3,8-O-diglucuronide

Formula: C25H24O16 (580.1064)
Adducts: [M+H]+ (Ppm: 4)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description