MassBank Record: WA002891



 4-Hydroxydebrisoquin; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002891
RECORD_TITLE: 4-Hydroxydebrisoquin; LC-ESI-Q; MS; POS; 75 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$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0159-1900000000-04bde6291735ab96fd85 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 77 82 82 79 102 102 80 8 8 86 8 8 89 51 51 90 102 102 91 110 110 103 251 251 105 149 149 106 12 12 115 999 999 117 842 842 118 78 78 128 12 12 130 803 803 131 110 110 132 196 196 133 16 16 157 16 16 192 16 16 //