MassBank Record: JP001793



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

ACCESSION: JP001793
RECORD_TITLE: ISOBUTYL 3-METHOXYBENZOATE; 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$NAME: ISOBUTYL 3-METHOXYBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O3 CH$EXACT_MASS: 208.10994 CH$SMILES: COc(c1)cc(cc1)C(=O)OCC(C)C CH$IUPAC: InChI=1S/C12H16O3/c1-9(2)8-15-12(13)10-5-4-6-11(7-10)14-3/h4-7,9H,8H2,1-3H3
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$SPLASH: splash10-0f79-4900000000-e30125d95f5f68b2c043 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 27 5.67 57 29 10.68 107 38 2.54 25 39 6.01 60 41 10.81 108 43 3 30 50 3.27 33 51 2.2 22 53 1.74 17 55 1.4 14 56 4.34 43 57 3.6 36 62 1.4 14 63 7.21 72 64 9.68 97 65 2.6 26 75 1.34 13 76 3.67 37 77 19.36 194 78 2.67 27 92 16.15 162 93 1.34 13 105 1.47 15 107 20.63 206 108 3.4 34 109 1.87 19 135 99.99 999 136 10.08 101 137 1.2 12 152 73.77 738 153 8.01 80 154 1 10 165 1.27 13 208 16.29 163 209 2.14 21 //