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 12 Reference Ions Near m/z 420.0357
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053606 Reliable 420.0441 420.044 ~ 420.0443
MzDiff: 1.1 ppm
Glucoraphanin (BioDeep_00000230230)
Formula: C12H23NO10S3 (437.0484)
7.59 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000025555 Unreliable 420.0445 420.0443 ~ 420.0445
MzDiff: 0.9 ppm
Cefotaxime (BioDeep_00000006367)
Formula: C16H17N5O7S2 (455.0569)
2.8 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000010938 Unreliable 420.0286 420.0286 ~ 420.0286
MzDiff: none
Vismodegib (BioDeep_00000184968)
Formula: C19H14Cl2N2O3S (420.0102)
2.85 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011309 Unreliable 420.0357 420.0357 ~ 420.0357
MzDiff: none
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione (BioDeep_00000010196)
Formula: C12H19Cl2N3O7S (419.0321)
1.17 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009596 Unavailable 420.0286 420.0286 ~ 420.0286
MzDiff: none
Vismodegib (BioDeep_00000184968)
Formula: C19H14Cl2N2O3S (420.0102)
-1.04 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009747 Unavailable 420.0357 420.0357 ~ 420.0357
MzDiff: none
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione (BioDeep_00000010196)
Formula: C12H19Cl2N3O7S (419.0321)
-1.58 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000012790 Unavailable 420.0443 420.0443 ~ 420.0443
MzDiff: none
Cefotaxime (BioDeep_00000006367)
Formula: C16H17N5O7S2 (455.0569)
-0.47 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014158 Unavailable 420.0443 420.0443 ~ 420.0443
MzDiff: none
Cefotaxime (BioDeep_00000006367)
Formula: C16H17N5O7S2 (455.0569)
-0.35 (100%) Plant
[PO:0005417] phloem
MSI_000014870 Unavailable 420.0443 420.0443 ~ 420.0443
MzDiff: none
Cefotaxime (BioDeep_00000006367)
Formula: C16H17N5O7S2 (455.0569)
-0.48 (100%) Plant
[PO:0006036] root epidermis
MSI_000017225 Unavailable 420.0451 420.0451 ~ 420.0451
MzDiff: none
Glucoraphanin (BioDeep_00000230230)
Formula: C12H23NO10S3 (437.0484)
-0.35 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000018264 Unreliable 420.0443 420.0443 ~ 420.0443
MzDiff: none
Cefotaxime (BioDeep_00000006367)
Formula: C16H17N5O7S2 (455.0569)
1.79 (100%) Plant
[PO:0020124] root stele
MSI_000019897 Unavailable 420.0443 420.0443 ~ 420.0443
MzDiff: none
Cefotaxime (BioDeep_00000006367)
Formula: C16H17N5O7S2 (455.0569)
-0.49 (100%) Plant
[PO:0025197] stele

Found 7 Sample Hits
Metabolite Species Sample
Vismodegib

Formula: C19H14Cl2N2O3S (420.0102)
Adducts: [M-H2O+NH4]+ (Ppm: 11.6)
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.

S-(2,2-Dichloro-1-hydroxy)ethyl glutathione

Formula: C12H19Cl2N3O7S (419.0321)
Adducts: [M+H]+ (Ppm: 8.7)
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.

Glucoraphanin

Formula: C12H23NO10S3 (437.0484)
Adducts: [M+H-H2O]+ (Ppm: 1.9)
Posidonia oceanica (root)
20190822_MS1_A19r-19
Resolution: 17μm, 303x309

Description

Seagrasses are among the most efficient sinks of carbon dioxide on Earth. While carbon sequestration in terrestrial plants is linked to the microorganisms living in their soils, the interactions of seagrasses with their rhizospheres are poorly understood. Here, we show that the seagrass, Posidonia oceanica excretes sugars, mainly sucrose, into its rhizosphere. These sugars accumulate to µM concentrations—nearly 80 times higher than previously observed in marine environments. This finding is unexpected as sugars are readily consumed by microorganisms. Our experiments indicated that under low oxygen conditions, phenolic compounds from P. oceanica inhibited microbial consumption of sucrose. Analyses of the rhizosphere community revealed that many microbes had the genes for degrading sucrose but these were only expressed by a few taxa that also expressed genes for degrading phenolics. Given that we observed high sucrose concentrations underneath three other species of marine plants, we predict that the presence of plant-produced phenolics under low oxygen conditions allows the accumulation of labile molecules across aquatic rhizospheres.

Glucoraphanin

Formula: C12H23NO10S3 (437.0484)
Adducts: [M+H-H2O]+ (Ppm: 1.9)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

Glucoraphanin

Formula: C12H23NO10S3 (437.0484)
Adducts: [M+H-H2O]+ (Ppm: 2.7)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Vismodegib

Formula: C19H14Cl2N2O3S (420.0102)
Adducts: [M-H2O+NH4]+ (Ppm: 7)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

Vismodegib

Formula: C19H14Cl2N2O3S (420.0102)
Adducts: [M-H2O+NH4]+ (Ppm: 6.2)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell