MassBank Record: WA002765



 6-Mercaptopurine; LC-ESI-Q; MS; POS; 15 V, 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002765
RECORD_TITLE: 6-Mercaptopurine; LC-ESI-Q; MS; POS; 15 V, 30 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$NAME: 6-Mercaptopurine CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H4N4S CH$EXACT_MASS: 152.01567 CH$SMILES: Sc(n2)c(n1)c(nc2)nc1 CH$IUPAC: InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) CH$LINK: CAS 50-44-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 2.670 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 15 V, 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0900000000-65fdd48c716cb428f2af PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 82 47 47 86 43 43 96 8 8 100 31 31 101 16 16 103 43 43 107 8 8 116 31 31 117 51 51 119 12 12 121 39 39 122 8 8 123 16 16 126 12 12 130 20 20 132 8 8 135 35 35 136 8 8 137 12 12 143 8 8 147 8 8 153 999 999 154 102 102 155 59 59 159 24 24 162 12 12 165 12 12 166 8 8 167 16 16 169 35 35 171 8 8 173 16 16 //