MassBank Record: JP006834



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

ACCESSION: JP006834
RECORD_TITLE: BENZYL CROTONATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL CROTONATE CH$NAME: BENZYL TRANS-2-BUTENOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12O2 CH$EXACT_MASS: 176.08373 CH$SMILES: CC=CC(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C11H12O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h2-8H,9H2,1H3/b6-2+ CH$LINK: INCHIKEY NCPTYZLUYHXITE-QHHAFSJGSA-N
AC$INSTRUMENT: HITACHI M-80B AC$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$SPLASH: splash10-014l-9200000000-f28cdf35b1fb81953b15 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 15 1.06 11 26 1.2 12 27 2.18 22 29 1.52 15 38 2.98 30 39 30.8 308 41 27.69 277 42 2.18 22 50 3.95 40 51 12.34 123 52 2.78 28 53 1.15 12 62 1.14 11 63 4.74 47 64 1.67 17 65 16.84 168 66 1.01 10 68 1.2 12 69 99.99 999 70 5.25 53 76 1.05 11 77 15.89 159 78 3.12 31 79 14.3 143 80 1.04 10 89 5.58 56 90 12.28 123 91 77.15 772 92 4.87 49 105 5.11 51 106 1.56 16 107 16.13 161 108 4.98 50 115 1.22 12 117 2.08 21 129 1.31 13 130 6.3 63 131 21.71 217 132 2.13 21 158 7.02 70 161 1.65 17 176 13.53 135 177 1.4 14 //