MassBank Record: JP002041



 6-CHLORO-5-CYANO-3,4-DIHYDROPYRIMIDIN-4-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002041
RECORD_TITLE: 6-CHLORO-5-CYANO-3,4-DIHYDROPYRIMIDIN-4-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 6-CHLORO-5-CYANO-3,4-DIHYDROPYRIMIDIN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H2ClN3O CH$EXACT_MASS: 154.98864 CH$SMILES: N#CC(C(=O)1)=C(Cl)N=CN1 CH$IUPAC: InChI=1S/C5H2ClN3O/c6-4-3(1-7)5(10)9-2-8-4/h2H,(H,8,9,10)
AC$INSTRUMENT: MS-902 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4l-8900000000-4d78ce7514559b18e7cc PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 35 2.8 28 36 16 160 37 1 10 38 1.81 18 39 4 40 40 1.9 19 41 1.4 14 43 0.11 1 47 11.1 111 48 3.6 36 49 3.5 35 50 0.42 4 51 4 40 53 1.1 11 55 1.2 12 57 0.17 2 62 4.4 44 63 4.7 47 64 10.4 104 65 0.86 9 66 1.8 18 67 4.8 48 73 1.3 13 76 0.46 5 77 5.3 53 82 1.2 12 85 21.4 214 86 0.12 1 87 5.2 52 92 3.2 32 93 82.4 824 94 0.45 5 99 3.9 39 100 2.9 29 101 1.3 13 111 0.11 1 120 11.1 111 127 39.1 391 128 15.1 151 129 1.35 14 130 5.2 52 137 1.6 16 149 1.6 16 155 99.99 999 156 8.2 82 157 38.6 386 158 2.7 27 //