MassBank Record: WA002769



 2-Mercaptopurine; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002769
RECORD_TITLE: 2-Mercaptopurine; LC-ESI-Q; MS; POS; 45 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$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0900000000-9b33514940fc8aee4e2c PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 101 8 8 102 16 16 106 8 8 108 16 16 109 24 24 112 12 12 114 8 8 116 8 8 117 16 16 119 125 125 121 24 24 122 16 16 123 8 8 126 259 259 127 12 12 128 16 16 130 35 35 131 8 8 132 35 35 134 8 8 135 20 20 136 16 16 137 74 74 138 8 8 139 12 12 142 8 8 143 8 8 144 8 8 153 999 999 154 86 86 155 43 43 160 8 8 //