MassBank Record: WA002297



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

ACCESSION: WA002297
RECORD_TITLE: Debrisoquin; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Debrisoquin CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H13N3 CH$EXACT_MASS: 175.11095 CH$SMILES: NC(=N)N(C1)Cc(c2)c(ccc2)C1 CH$IUPAC: InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12) CH$LINK: CAS 1131-64-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 10.390 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-2900000000-23b2053027bfc61b2600 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 77 86 86 79 165 165 80 8 8 89 47 47 91 419 419 92 31 31 93 8 8 95 16 16 102 8 8 103 90 90 105 548 548 106 47 47 107 27 27 115 999 999 116 231 231 117 364 364 118 192 192 119 165 165 120 12 12 130 12 12 132 20 20 134 188 188 135 16 16 140 86 86 142 153 153 143 20 20 144 16 16 159 24 24 160 16 16 176 43 43 //