MassBank Record: WA002767



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

ACCESSION: WA002767
RECORD_TITLE: 2-Mercaptopurine; 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$NAME: 2-Mercaptopurine CH$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$LINK: CAS 28128-19-0
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 2.830 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: splash10-0gdi-0900000000-65b440468cf4cd5e0015 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 100 247 247 101 27 27 102 71 71 103 129 129 104 16 16 106 55 55 108 8 8 109 595 595 110 165 165 111 129 129 112 118 118 113 78 78 116 86 86 117 176 176 118 215 215 119 999 999 120 118 118 122 12 12 125 12 12 126 662 662 127 137 137 128 59 59 130 196 196 131 125 125 132 24 24 133 114 114 135 20 20 136 251 251 137 278 278 138 24 24 139 43 43 142 43 43 144 63 63 145 35 35 148 20 20 150 59 59 152 78 78 153 321 321 154 239 239 155 16 16 156 24 24 157 12 12 //