MassBank Record: KO004270



 Xanthopterin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO004270
RECORD_TITLE: Xanthopterin; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9100000000-53ef65f1207be0ac19b9 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 42.900 59406.0 571 44.900 103960.5 999 65.300 24752.5 238 104.500 9901.0 95 106.800 14851.5 143 //