MassBank Record: WA002770



 2-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: WA002770
RECORD_TITLE: 2-Mercaptopurine; LC-ESI-Q; MS; POS; 15 V, 30 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$CHROMATOGRAPHY: SAMPLING_CONE 15 V, 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0900000000-46927742ddad480e187d PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 102 8 8 106 8 8 116 12 12 121 43 43 123 12 12 144 8 8 151 8 8 152 20 20 153 999 999 154 243 243 155 12 12 159 16 16 //