MassBank Record: WA002768



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

ACCESSION: WA002768
RECORD_TITLE: 2-Mercaptopurine; 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$NAME: 2-Mercaptopurine CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H4N4S CH$EXACT_MASS: 152.01567 CH$SMILES: S=C(N1)NC(=N2)C(N=C2)=C1 CH$IUPAC: InChI=1S/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10) CH$LINK: CAS 28128-19-0 CH$LINK: INCHIKEY HDBQZGJWHMCXIL-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 2.830 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$SPLASH: splash10-0fvi-0900000000-f3096d511030278e4477 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 100 59 59 103 16 16 104 16 16 105 110 110 106 35 35 107 35 35 109 137 137 110 67 67 113 71 71 115 51 51 117 141 141 119 682 682 120 165 165 122 12 12 124 59 59 125 51 51 126 999 999 127 63 63 128 31 31 129 8 8 130 172 172 132 8 8 133 35 35 135 55 55 136 51 51 137 227 227 139 31 31 145 20 20 146 20 20 149 12 12 152 43 43 153 619 619 154 51 51 158 8 8 160 24 24 //