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 17 Reference Ions Near m/z 426.0878
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011217 Unreliable 426.0914 426.0914 ~ 426.0914
MzDiff: none
Hydroxanthommatin (BioDeep_00000005220)
Formula: C20H15N3O8 (425.0859)
1.76 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011226 Unreliable 426.0835 426.0835 ~ 426.0835
MzDiff: none
Cysteineglutathione disulfide (BioDeep_00000005858)
Formula: C13H22N4O8S2 (426.0879)
1.74 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000053984 Unreliable 426.0821 426.0821 ~ 426.0821
MzDiff: 0.0 ppm
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
3.67 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000009470 Unavailable 426.0835 426.0835 ~ 426.0835
MzDiff: none
Cysteineglutathione disulfide (BioDeep_00000005858)
Formula: C13H22N4O8S2 (426.0879)
-0.49 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009537 Unavailable 426.0914 426.0914 ~ 426.0914
MzDiff: none
Hydroxanthommatin (BioDeep_00000005220)
Formula: C20H15N3O8 (425.0859)
-0.83 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000866 Unavailable 426.0914 426.0914 ~ 426.0914
MzDiff: none
Hydroxanthommatin (BioDeep_00000005220)
Formula: C20H15N3O8 (425.0859)
-0.66 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000901 Unavailable 426.0835 426.0835 ~ 426.0835
MzDiff: none
Cysteineglutathione disulfide (BioDeep_00000005858)
Formula: C13H22N4O8S2 (426.0879)
-0.77 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000003883 Unreliable 426.0815 426.0815 ~ 426.0815
MzDiff: none
2-Sulfamoyl-5-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzoic acid (BioDeep_00000175808)
Formula: C18H14F3N3O4S (425.0657)
1.41 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000012701 Unavailable 426.0818 426.0818 ~ 426.0818
MzDiff: none
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate (BioDeep_00000180993)
Formula: C22H21Cl2N3O4 (461.0909)
-0.38 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014172 Unavailable 426.0818 426.0818 ~ 426.0818
MzDiff: none
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate (BioDeep_00000180993)
Formula: C22H21Cl2N3O4 (461.0909)
-0.37 (100%) Plant
[PO:0005417] phloem
MSI_000014998 Unavailable 426.0818 426.0818 ~ 426.0818
MzDiff: none
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate (BioDeep_00000180993)
Formula: C22H21Cl2N3O4 (461.0909)
-0.52 (100%) Plant
[PO:0006036] root epidermis
MSI_000018309 Unreliable 426.0818 426.0818 ~ 426.0818
MzDiff: none
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate (BioDeep_00000180993)
Formula: C22H21Cl2N3O4 (461.0909)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000020047 Unavailable 426.0818 426.0818 ~ 426.0818
MzDiff: none
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate (BioDeep_00000180993)
Formula: C22H21Cl2N3O4 (461.0909)
-0.52 (100%) Plant
[PO:0025197] stele
MSI_000033878 Unreliable 426.0814 426.0814 ~ 426.0814
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
0.33 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000035451 Unreliable 426.0814 426.0814 ~ 426.0814
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
0.11 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000037117 Unreliable 426.0818 426.0818 ~ 426.0818
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
2.04 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000039981 Unreliable 426.0821 426.0821 ~ 426.0821
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
0.29 (100%) Posidonia oceanica
[PO:0005417] phloem

Found 3 Sample Hits
Metabolite Species Sample
Cysteineglutathione disulfide

Formula: C13H22N4O8S2 (426.0879)
Adducts: [M]+ (Ppm: 9)
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.

2-Sulfamoyl-5-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzoic acid

Formula: C18H14F3N3O4S (425.0657)
Adducts: [M+H]+ (Ppm: 20)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one

Formula: C21H14O10 (426.0587)
Adducts: [M-H2O+NH4]+ (Ppm: 13.7)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late