ACCESSION: MSBNK-RIKEN_ReSpect-PT210040
RECORD_TITLE: Ribovel, Ribosyn, Ribotone, Beflavine, Riboflavinequinone, Flavaxin, Vitamin B2, 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione, Vitaflavine, Hyflavin, Lactoflavin, 6,7-Dimethyl-9-D-ribitylisoalloxazine, 7,8-Dimethyl-10-ribitylisoalloxazine, Lactobene, Ribipca, Riboderm, Vitamin G, Flaxain, Ovoflavin, (-)-Riboflavin; LC-ESI-QTOF; MS2
DATE: 2008.07.29
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Ribovel
CH$NAME: Ribosyn
CH$NAME: Ribotone
CH$NAME: Beflavine
CH$NAME: Riboflavinequinone
CH$NAME: Flavaxin
CH$NAME: Vitamin B2
CH$NAME: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
CH$NAME: Vitaflavine
CH$NAME: Hyflavin
CH$NAME: Lactoflavin
CH$NAME: 6,7-Dimethyl-9-D-ribitylisoalloxazine
CH$NAME: 7,8-Dimethyl-10-ribitylisoalloxazine
CH$NAME: Lactobene
CH$NAME: Ribipca
CH$NAME: Riboderm
CH$NAME: Vitamin G
CH$NAME: Flaxain
CH$NAME: Ovoflavin
CH$NAME: (-)-Riboflavin
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Vitamin
CH$FORMULA: C₁₇H₂₀N₄O₆
CH$EXACT_MASS: 376.369
CH$SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
CH$IUPAC: InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)
CH$LINK: CAS 83-88-5
CH$LINK: INCHIKEY AUNGANRZJHBGPY-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 375.13048

PK$SPLASH: splash10-0a4i-0091000000-a82c54d3153103fcdb1f
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  212.0835 81.46 213
  241.0736 49.18 128
  243.0878 20.85 54
  255.0891 382.4 999
  375.1305 68.57 179
//