MassBank Record: JP000997



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

ACCESSION: JP000997
RECORD_TITLE: PARA-METHOXYBENZOIC 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$NAME: PARA-METHOXYBENZOIC ACID ISOBUTYL ESTER CH$NAME: ISOBUTYL PARA-METHOXYBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O3 CH$EXACT_MASS: 208.10994 CH$SMILES: COc(c1)ccc(c1)C(=O)OCC(C)C CH$IUPAC: InChI=1S/C12H16O3/c1-9(2)8-15-12(13)10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3
AC$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: splash10-0f79-3900000000-e7e6d59561043f2affd8 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 27 2.49 25 28 2.18 22 29 4.98 50 39 2.8 28 41 5.91 59 42 1.24 12 43 2.8 28 50 1.87 19 51 1.24 12 56 2.18 22 57 2.05 21 63 2.99 30 64 5.47 55 65 1.37 14 76 1.87 19 77 13.81 138 78 1.37 14 92 8.71 87 93 1 10 107 8.21 82 108 1.06 11 135 99.99 999 136 9.64 96 137 1.12 11 152 68.41 684 153 9.2 92 208 4.29 43 209 0.62 6 //