MassBank Record: JP001657



 META-NITROACETOPHENONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001657
RECORD_TITLE: META-NITROACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META-NITROACETOPHENONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7NO3 CH$EXACT_MASS: 165.04259 CH$SMILES: CC(=O)c(c1)cc(cc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3
AC$INSTRUMENT: HITACHI RMU-7M AC$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$SPLASH: splash10-0udi-6900000000-9480015db2f7bd40b696 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 39 2 20 43 27.74 277 50 10.39 104 51 4.82 48 62 1.24 12 63 2.96 30 64 2 20 65 3.99 40 74 4.13 41 75 7.23 72 76 21.75 218 77 6.81 68 89 1.58 16 91 6.19 62 92 5.85 59 104 33.24 332 105 2.34 23 119 1.1 11 120 1.79 18 122 2.2 22 150 99.99 999 151 7.98 80 165 10.19 102 166 0.83 8 //