MassBank Record: WA002892



 4-Hydroxydebrisoquin; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002892
RECORD_TITLE: 4-Hydroxydebrisoquin; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 4-Hydroxydebrisoquin CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H13N3O CH$EXACT_MASS: 191.10586 CH$SMILES: NC(=N)N(C1)Cc(c2)c(ccc2)C(O)1 CH$IUPAC: InChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12) CH$LINK: CAS 59333-79-8 CH$LINK: INCHIKEY AKFURXZANOMQBD-UHFFFAOYSA-N
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: RETENTION_TIME 2.220 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00lr-0900000000-00ca21523259c44613f0 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 79 20 20 81 8 8 91 55 55 103 74 74 105 106 106 106 8 8 115 995 995 117 662 662 118 47 47 130 913 913 132 999 999 133 90 90 157 121 121 158 12 12 174 16 16 192 16 16 //