MassBank Record: WA002890



 4-Hydroxydebrisoquin; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002890
RECORD_TITLE: 4-Hydroxydebrisoquin; LC-ESI-Q; MS; POS; 90 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$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-016r-5900000000-63e1be4e915dbf7aac43 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 75 8 8 77 658 658 79 227 227 81 8 8 89 470 470 90 478 478 91 184 184 92 12 12 94 12 12 95 114 114 96 8 8 101 8 8 102 24 24 103 564 564 105 145 145 106 8 8 115 999 999 117 729 729 118 94 94 119 12 12 128 27 27 130 748 748 131 102 102 132 55 55 146 8 8 192 27 27 //