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 435.0162
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000054238 Reliable 435.0113 435.0111 ~ 435.0116
MzDiff: 2.1 ppm
(1s,4r,5s,6s,7r,9s,11s,14r,15s,18s,22s)-5,6,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone (BioDeep_00002075624)
Formula: C18H18N2O7S3 (470.0276)
3.04 (50%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000011596 Unavailable 435.0162 435.0162 ~ 435.0162
MzDiff: none
buellin (BioDeep_00000367647)
Formula: C18H17Cl3O6 (434.0091)
-1.24 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009588 Unavailable 435.0162 435.0162 ~ 435.0162
MzDiff: none
buellin (BioDeep_00000367647)
Formula: C18H17Cl3O6 (434.0091)
-1 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000466 Unavailable 435.0162 435.0162 ~ 435.0162
MzDiff: none
buellin (BioDeep_00000367647)
Formula: C18H17Cl3O6 (434.0091)
-0.21 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000013002 Unavailable 435.0112 435.0112 ~ 435.0112
MzDiff: none
dIDP (BioDeep_00000004672)
Formula: C10H14N4O10P2 (412.0185)
-0.6 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013831 Unreliable 435.0112 435.0112 ~ 435.0112
MzDiff: none
dIDP (BioDeep_00000004672)
Formula: C10H14N4O10P2 (412.0185)
0.06 (100%) Plant
[PO:0005417] phloem
MSI_000015196 Unavailable 435.0112 435.0112 ~ 435.0112
MzDiff: none
dIDP (BioDeep_00000004672)
Formula: C10H14N4O10P2 (412.0185)
-0.62 (100%) Plant
[PO:0006036] root epidermis
MSI_000018581 Unreliable 435.0112 435.0112 ~ 435.0112
MzDiff: none
dIDP (BioDeep_00000004672)
Formula: C10H14N4O10P2 (412.0185)
1.72 (100%) Plant
[PO:0020124] root stele
MSI_000033683 Unreliable 435.0108 435.0108 ~ 435.0108
MzDiff: none
2,6-dichloro-4-(2,4-dichloro-3-hydroxy-5-propylphenoxy)-3-methoxy-5-propylphenol (BioDeep_00002249077)
Formula: C19H20Cl4O4 (452.0116)
1.02 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000035391 Unreliable 435.0108 435.0108 ~ 435.0108
MzDiff: none
2,6-dichloro-4-(2,4-dichloro-3-hydroxy-5-propylphenoxy)-3-methoxy-5-propylphenol (BioDeep_00002249077)
Formula: C19H20Cl4O4 (452.0116)
0.25 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000037501 Unreliable 435.0112 435.0112 ~ 435.0112
MzDiff: none
(1s,4r,5s,6s,7r,9s,11s,14r,15s,18s,22s)-5,6,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone (BioDeep_00002075624)
Formula: C18H18N2O7S3 (470.0276)
1.47 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000040074 Unreliable 435.0113 435.0113 ~ 435.0113
MzDiff: none
buellin (BioDeep_00000367647)
Formula: C18H17Cl3O6 (434.0091)
0.09 (100%) Posidonia oceanica
[PO:0005417] phloem

Found 7 Sample Hits
Metabolite Species Sample
buellin

Formula: C18H17Cl3O6 (434.0091)
Adducts: [M+H]+ (Ppm: 0.3)
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.

dIDP

Formula: C10H14N4O10P2 (412.0185)
Adducts: [M+Na]+ (Ppm: 8)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

(1s,4r,5s,6s,7r,9s,11s,14r,15s,18s,22s)-5,6,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

Formula: C18H18N2O7S3 (470.0276)
Adducts: [M+H-2H2O]+ (Ppm: 6.1)
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.

buellin

Formula: C18H17Cl3O6 (434.0091)
Adducts: [M+H]+ (Ppm: 10.9)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

buellin

Formula: C18H17Cl3O6 (434.0091)
Adducts: [M+H]+ (Ppm: 11.6)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Thiamphenicol glycinate

Formula: C14H18Cl2N2O6S (412.0263)
Adducts: [M+Na]+ (Ppm: 4.2)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Thiamphenicol glycinate

Formula: C14H18Cl2N2O6S (412.0263)
Adducts: [M+Na]+ (Ppm: 3.7)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description