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 282.9907
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053029 Reliable 282.9953 282.9951 ~ 282.9956
MzDiff: 1.9 ppm
4-Hydroxy-5-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydroimidazole-2-thione (BioDeep_00000185298)
Formula: C9H3F5N2OS (281.9886)
4.22 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000015477 Reliable 282.9907 282.9906 ~ 282.9907
MzDiff: 0.1 ppm
(7-hydroxy-5,6-dimethoxy-2-oxochromen-8-yl)oxidanesulfonic acid (BioDeep_00002224003)
Formula: C11H10O9S (318.0046)
4.78 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000054426 Unreliable 283.0002 283 ~ 283.0004
MzDiff: 1.5 ppm
(2r)-1-chloro-4-{5'-methyl-[2,2'-bithiophen]-5-yl}but-3-yn-2-ol (BioDeep_00002142936)
Formula: C13H11ClOS2 (281.994)
2.47 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000013210 Unavailable 283.0004 283.0004 ~ 283.0004
MzDiff: none
Nitrofen (BioDeep_00000002417)
Formula: C12H7Cl2NO3 (282.9803)
-0.83 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013636 Unreliable 283.0004 283.0004 ~ 283.0004
MzDiff: none
Nitrofen (BioDeep_00000002417)
Formula: C12H7Cl2NO3 (282.9803)
0.52 (100%) Plant
[PO:0005417] phloem
MSI_000018750 Unreliable 283.0004 283.0004 ~ 283.0004
MzDiff: none
Nitrofen (BioDeep_00000002417)
Formula: C12H7Cl2NO3 (282.9803)
1.51 (100%) Plant
[PO:0020124] root stele
MSI_000019811 Unavailable 283.0004 283.0004 ~ 283.0004
MzDiff: none
Nitrofen (BioDeep_00000002417)
Formula: C12H7Cl2NO3 (282.9803)
-0.44 (100%) Plant
[PO:0025197] stele
MSI_000032321 Unreliable 282.9998 282.9998 ~ 282.9998
MzDiff: none
(2r)-1-chloro-4-{5'-methyl-[2,2'-bithiophen]-5-yl}but-3-yn-2-ol (BioDeep_00002142936)
Formula: C13H11ClOS2 (281.994)
1.84 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033794 Unreliable 282.9998 282.9998 ~ 282.9998
MzDiff: none
(2r)-1-chloro-4-{5'-methyl-[2,2'-bithiophen]-5-yl}but-3-yn-2-ol (BioDeep_00002142936)
Formula: C13H11ClOS2 (281.994)
0.57 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000038001 Unavailable 282.9999 282.9999 ~ 282.9999
MzDiff: none
(2r)-1-chloro-4-{5'-methyl-[2,2'-bithiophen]-5-yl}but-3-yn-2-ol (BioDeep_00002142936)
Formula: C13H11ClOS2 (281.994)
-0.2 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000040437 Unavailable 283.0002 283.0002 ~ 283.0002
MzDiff: none
(2r)-1-chloro-4-{5'-methyl-[2,2'-bithiophen]-5-yl}but-3-yn-2-ol (BioDeep_00002142936)
Formula: C13H11ClOS2 (281.994)
-0.2 (100%) Posidonia oceanica
[PO:0005417] phloem
MSI_000043447 Unreliable 282.9953 282.9953 ~ 282.9953
MzDiff: none
4-Hydroxy-5-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydroimidazole-2-thione (BioDeep_00000185298)
Formula: C9H3F5N2OS (281.9886)
1.65 (100%) Homo sapiens
[UBERON:0001043] esophagus

Found 13 Sample Hits
Metabolite Species Sample
(7-hydroxy-5,6-dimethoxy-2-oxochromen-8-yl)oxidanesulfonic acid

Formula: C11H10O9S (318.0046)
Adducts: [M+H-2H2O]+ (Ppm: 0)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

(7-hydroxy-5,6-dimethoxy-2-oxochromen-8-yl)oxidanesulfonic acid

Formula: C11H10O9S (318.0046)
Adducts: [M+H-2H2O]+ (Ppm: 0)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

(7-hydroxy-5,6-dimethoxy-2-oxochromen-8-yl)oxidanesulfonic acid

Formula: C11H10O9S (318.0046)
Adducts: [M+H-2H2O]+ (Ppm: 0.4)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

(2r)-1-chloro-4-{5'-methyl-[2,2'-bithiophen]-5-yl}but-3-yn-2-ol

Formula: C13H11ClOS2 (281.994)
Adducts: [M+H]+ (Ppm: 4.8)
Posidonia oceanica (root)
20190828_MS1_A19r-22
Resolution: 17μm, 292x279

Description

4-Hydroxy-5-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydroimidazole-2-thione

Formula: C9H3F5N2OS (281.9886)
Adducts: [M+H]+ (Ppm: 6)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

4-Hydroxy-5-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydroimidazole-2-thione

Formula: C9H3F5N2OS (281.9886)
Adducts: [M+H]+ (Ppm: 3.5)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

4-Hydroxy-5-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydroimidazole-2-thione

Formula: C9H3F5N2OS (281.9886)
Adducts: [M+H]+ (Ppm: 2.1)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

4-Hydroxy-5-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydroimidazole-2-thione

Formula: C9H3F5N2OS (281.9886)
Adducts: [M+H]+ (Ppm: 2.5)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

4-Hydroxy-5-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydroimidazole-2-thione

Formula: C9H3F5N2OS (281.9886)
Adducts: [M+H]+ (Ppm: 3.9)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

4-Hydroxy-5-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydroimidazole-2-thione

Formula: C9H3F5N2OS (281.9886)
Adducts: [M+H]+ (Ppm: 2.5)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

4-Hydroxy-5-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydroimidazole-2-thione

Formula: C9H3F5N2OS (281.9886)
Adducts: [M+H]+ (Ppm: 3.5)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

4-Hydroxy-5-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydroimidazole-2-thione

Formula: C9H3F5N2OS (281.9886)
Adducts: [M+H]+ (Ppm: 3.5)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

4-Hydroxy-5-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydroimidazole-2-thione

Formula: C9H3F5N2OS (281.9886)
Adducts: [M+H]+ (Ppm: 2.8)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description