MassBank Record: JP000999



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

ACCESSION: JP000999
RECORD_TITLE: PARA-CYANOBENZOIC ACID ISOBUTYL ESTER; 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$NAME: PARA-CYANOBENZOIC ACID ISOBUTYL ESTER CH$NAME: ISOBUTYL PARA-CYANOBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H13NO2 CH$EXACT_MASS: 203.09463 CH$SMILES: N#Cc(c1)ccc(c1)C(=O)OCC(C)C CH$IUPAC: InChI=1S/C12H13NO2/c1-9(2)8-15-12(14)11-5-3-10(7-13)4-6-11/h3-6,9H,8H2,1-2H3
AC$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-8900000000-d71280c8ff88dd9363fd PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 27 4.36 44 28 1.06 11 29 4.79 48 31 1.06 11 39 4.31 43 41 13.15 132 42 2.45 25 43 6.33 63 50 3.19 32 51 5.32 53 52 1.06 11 55 2.77 28 56 80.95 810 57 6.28 63 73 2.24 22 74 1.17 12 75 8.04 80 76 5.38 54 101 1.01 10 102 34.59 346 103 5.85 59 104 1.33 13 130 99.99 999 131 9.58 96 135 1.06 11 148 10.22 102 149 1.54 15 //