MassBank Record: JP001791



 ISOBUTYL 3-CYANOBENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001791
RECORD_TITLE: ISOBUTYL 3-CYANOBENZOATE; 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$NAME: ISOBUTYL 3-CYANOBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H13NO2 CH$EXACT_MASS: 203.09463 CH$SMILES: N#Cc(c1)cc(cc1)C(=O)OCC(C)C CH$IUPAC: InChI=1S/C12H13NO2/c1-9(2)8-15-12(14)11-5-3-4-10(6-11)7-13/h3-6,9H,8H2,1-2H3
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$SPLASH: splash10-053r-7900000000-e206beb3bd4fa27fd6ff PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 39 4.34 43 40 1.31 13 41 14.46 145 42 3.81 38 43 8.68 87 50 2.63 26 51 4.54 45 55 2.96 30 56 77.32 773 57 5.59 56 73 2.1 21 74 1.12 11 75 6.64 66 76 4.4 44 101 1 10 102 29.52 295 103 5.65 57 104 1.12 11 130 99.99 999 131 9.2 92 148 17.82 178 149 1.91 19 160 1.12 11 161 1 10 //