| Number |
mr1126 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
6.74 |
| Precursor ions(Q1) |
377.2 |
| Product ions(Q3) |
243.1 |
| Main fragments |
243.1, 216.1, 198.2, 172.3, 145.3 |
| Compound |
Vitamin B2 |
| Identification |
putative |
| class |
Vitamine |
| Organism |
|
| Reference |
Horai et. al (2010) |
| CV(%) |
66.86 |
| H2 |
0.67 |
| ChEBI_ID |
CHEBI:17015 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
97831;; |
| BioModels Database Links |
BIOMD0000000497;;BIOMD0000000496;;BIOMD0000000470;;BIOMD0000000469;; |
| CAS Registry Numbers |
83-88-5;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
riboflavin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy veg |
| DrugBank Database Links |
DB00140;; |
| Formulae |
C17H20N4O6;; |
| Gmelin Registry Numbers |
|
| INN |
riboflavinum;;riboflavine;;riboflavina;;riboflavin;; |
| IUPAC Names |
5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol;; |
| InChI |
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1;; |
| InChIKey |
AUNGANRZJHBGPY-SCRDCRAPSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00050 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
25 Feb 2016;; |
| Mass |
376.36390;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2007133981;;WO2007131286;;WO2007130886;;WO2007130777;;WO2007130119;;WO2007127172;;WO2007121479;;WO2007106457;;WO2007103528;;WO2006094248;;WO2006094237;;WO2006094236;;WO2006094235;;WO2005067644;;WO2005014594;;WO2005010160;;US2876169;;US2807611;;US2007269 |
| PubChem Database Links |
8144638;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9808225;;9184778;;8976642;;8678471;;8604671;;8487103;;7883462;;7101408;;6650303;;6546833;;6475825;;4019261;;3878498;;3592624;;3142982;;2631092;;2369885;;22770225;;19212411;;182198;;16658098;;14963913;;12354259;;11606856;;10566553;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-3165230;;R-HSA-196964;;R-HSA-196950;; |
| Rhea Database Links |
|
| SABIO-RK Database Links |
964;;7291;;653;;277;;1843;;12838;; |
| SMILES |
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C;; |
| Secondary ChEBI ID |
CHEBI:529204;;CHEBI:8843;;CHEBI:27299;;CHEBI:15044;;CHEBI:45214;; |
| Star |
3;; |
| Synonyms |
vitamin G;;vitamin B2;;Vitasan B2;;Vitaflavine;;San Yellow B;;Russupteridine yellow III;;Ribovel;;Ribotone;;Ribosyn;;Riboflavine;;Riboderm;;Ribocrisina;;Ribipca;;Lactoflavine;;Lactobene;;Hyre;;Food Yellow 15;;Flaxain;;Flavin BB;;Flavaxin;;E101;;E 101;;Ben |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZNM0;;Q9ZN56;;Q9ZL42;;Q9ZL40;;Q9Z820;;Q9Z735;;Q9Z734;;Q9Z733;;Q9YDC5;;Q9YC88;;Q9YA27;;Q9Y7P0;;Q9XH32;;Q9X2I1;;Q9X2E6;;Q9X2E5;;Q9X1Z1;;Q9X1G6;;Q9WY65;;Q9UYX4;;Q9UVT8;;Q9UUB1;;Q9STY4;;Q9RXZ8;;Q9RPU2;;Q9REF4;;Q9PLJ6;;Q9PLJ5;;Q9PLJ4;;Q9PJZ1;;Q9PIB9;;Q9PHU4; |
| ChEBI Image |
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