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 3 Reference Ions Near m/z 513.0222
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000017504 Reliable 513.0287 513.0287 ~ 513.0288
MzDiff: 0.5 ppm
5,5,5-trichloro-2-(4,4-dichloro-n,3-dimethylbutanamido)-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid (BioDeep_00002062918)
Formula: C16H22Cl5N3O2S (494.9875)
2.19 (67%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000038503 Unreliable 513.0222 513.0222 ~ 513.0222
MzDiff: none
5,5,5-trichloro-2-(4,4-dichloro-n,3-dimethylbutanamido)-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid (BioDeep_00002062918)
Formula: C16H22Cl5N3O2S (494.9875)
1.86 (100%) Posidonia oceanica
[PO:0005059] root endodermis
MSI_000025050 Unreliable 513.023 513.023 ~ 513.023
MzDiff: none
Dihydroneopterin triphosphate (BioDeep_00000005694)
Formula: C9H16N5O13P3 (494.9957)
1.73 (100%) Mus musculus
[UBERON:0004269] upper arm connective tissue

Found 4 Sample Hits
Metabolite Species Sample
5,5,5-trichloro-2-(4,4-dichloro-n,3-dimethylbutanamido)-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid

Formula: C16H22Cl5N3O2S (494.9875)
Adducts: [M+NH4]+ (Ppm: 14.3)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Dihydroneopterin triphosphate

Formula: C9H16N5O13P3 (494.9957)
Adducts: [M+NH4]+ (Ppm: 12.8)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

Dihydroneopterin triphosphate

Formula: C9H16N5O13P3 (494.9957)
Adducts: [M+NH4]+ (Ppm: 16.3)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

5,5,5-trichloro-2-(4,4-dichloro-n,3-dimethylbutanamido)-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid

Formula: C16H22Cl5N3O2S (494.9875)
Adducts: [M+NH4]+ (Ppm: 1.6)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description