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 15 Reference Ions Near m/z 449.0332
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011212 Unreliable 449.0358 449.0358 ~ 449.0358
MzDiff: none
Cefoxitin sodium (BioDeep_00000015080)
Formula: C16H16N3NaO7S2 (449.0327)
1.77 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000015691 Unreliable 449.027 449.027 ~ 449.0271
MzDiff: 0.3 ppm
3-{[(4z)-2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxyimidazol-4-ylidene]methyl}-1h-indol-6-ol (BioDeep_00002058491)
Formula: C21H13BrN4O3 (448.0171)
3.64 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000054381 Unreliable 449.0271 449.0271 ~ 449.0273
MzDiff: 0.8 ppm
3-{[(4z)-2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxyimidazol-4-ylidene]methyl}-1h-indol-6-ol (BioDeep_00002058491)
Formula: C21H13BrN4O3 (448.0171)
2.6 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000009326 Unreliable 449.0358 449.0358 ~ 449.0358
MzDiff: none
Cefoxitin sodium (BioDeep_00000015080)
Formula: C16H16N3NaO7S2 (449.0327)
0.09 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000063446 Unreliable 449.027 449.027 ~ 449.027
MzDiff: 0.1 ppm
6-Benzyl-1-(benzyloxymethyl)-5-iodouracil (BioDeep_00000177250)
Formula: C19H17IN2O3 (448.0284)
3.03 (50%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000013029 Unavailable 449.0269 449.0269 ~ 449.0269
MzDiff: none
3-{[(4z)-2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxyimidazol-4-ylidene]methyl}-1h-indol-6-ol (BioDeep_00002058491)
Formula: C21H13BrN4O3 (448.0171)
-0.62 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013825 Unreliable 449.0269 449.0269 ~ 449.0269
MzDiff: none
3-{[(4z)-2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxyimidazol-4-ylidene]methyl}-1h-indol-6-ol (BioDeep_00002058491)
Formula: C21H13BrN4O3 (448.0171)
0.07 (100%) Plant
[PO:0005417] phloem
MSI_000015212 Unavailable 449.0269 449.0269 ~ 449.0269
MzDiff: none
3-{[(4z)-2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxyimidazol-4-ylidene]methyl}-1h-indol-6-ol (BioDeep_00002058491)
Formula: C21H13BrN4O3 (448.0171)
-0.62 (100%) Plant
[PO:0006036] root epidermis
MSI_000018588 Unreliable 449.0269 449.0269 ~ 449.0269
MzDiff: none
3-{[(4z)-2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxyimidazol-4-ylidene]methyl}-1h-indol-6-ol (BioDeep_00002058491)
Formula: C21H13BrN4O3 (448.0171)
1.71 (100%) Plant
[PO:0020124] root stele
MSI_000020140 Unavailable 449.0269 449.0269 ~ 449.0269
MzDiff: none
3-{[(4z)-2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxyimidazol-4-ylidene]methyl}-1h-indol-6-ol (BioDeep_00002058491)
Formula: C21H13BrN4O3 (448.0171)
-0.53 (100%) Plant
[PO:0025197] stele
MSI_000025889 Unreliable 449.0429 449.0429 ~ 449.0429
MzDiff: none
6-Benzyl-1-(benzyloxymethyl)-5-iodouracil (BioDeep_00000177250)
Formula: C19H17IN2O3 (448.0284)
2.02 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000032826 Unreliable 449.0264 449.0264 ~ 449.0264
MzDiff: none
3-{[(4z)-2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxyimidazol-4-ylidene]methyl}-1h-indol-6-ol (BioDeep_00002058491)
Formula: C21H13BrN4O3 (448.0171)
0.18 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033780 Unreliable 449.0264 449.0264 ~ 449.0264
MzDiff: none
3-{[(4z)-2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxyimidazol-4-ylidene]methyl}-1h-indol-6-ol (BioDeep_00002058491)
Formula: C21H13BrN4O3 (448.0171)
0.63 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000040187 Unavailable 449.0271 449.0271 ~ 449.0271
MzDiff: none
3-{[(4z)-2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxyimidazol-4-ylidene]methyl}-1h-indol-6-ol (BioDeep_00002058491)
Formula: C21H13BrN4O3 (448.0171)
-0.05 (100%) Posidonia oceanica
[PO:0005417] phloem
MSI_000064874 Unreliable 449.027 449.027 ~ 449.027
MzDiff: none
6-Benzyl-1-(benzyloxymethyl)-5-iodouracil (BioDeep_00000177250)
Formula: C19H17IN2O3 (448.0284)
1.35 (100%) Mus musculus
[UBERON:0001950] neocortex

Found 2 Sample Hits
Metabolite Species Sample
Cefoxitin sodium

Formula: C16H16N3NaO7S2 (449.0327)
Adducts: [M]+ (Ppm: 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.

6-Benzyl-1-(benzyloxymethyl)-5-iodouracil

Formula: C19H17IN2O3 (448.0284)
Adducts: [M+H]+ (Ppm: 5.5)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description