MassBank Record: KO004266



 Xanthopterin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO004266
RECORD_TITLE: Xanthopterin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID X012

CH$NAME: Xanthopterin CH$NAME: 1-(7,8-Dihydro-2,4-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one CH$NAME: Xanthopterin-B2 CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H5N5O2 CH$EXACT_MASS: 179.04432 CH$SMILES: O=C(C=2)NC(C(=O)1)=C(N2)N=C(N)N1 CH$IUPAC: InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13) CH$LINK: CAS 14331-49-8 CH$LINK: CHEBI 17953 CH$LINK: KEGG C02333 CH$LINK: PUBCHEM SID:5383 CH$LINK: INCHIKEY VURKRJGMSKJIQX-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-99d0972bf72cfada3fed PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 73.300 19802.0 1 85.000 237624.0 14 89.300 148515.0 9 101.000 198020.0 12 102.800 346535.0 21 106.900 608911.5 37 116.900 69307.0 4 126.900 232673.5 14 145.200 2876240.5 173 147.900 108911.0 7 162.200 24752.5 1 163.300 16564373.0 999 180.100 4717826.5 285 198.400 34653.5 2 //