MassBank Record: JP002203



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

ACCESSION: JP002203
RECORD_TITLE: 4-TERT-BUTYLBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 4-TERT-BUTYLBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O2 CH$EXACT_MASS: 192.11503 CH$SMILES: COC(=O)c(c1)ccc(c1)C(C)(C)C CH$IUPAC: InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-004i-2900000000-9a3ca45e21a73221aa29 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 44 1.1 11 45 1.9 19 50 2.2 22 51 0.53 5 55 1.9 19 57 1.1 11 58 3.4 34 59 0.8 8 63 1.5 15 64 1.1 11 65 2.6 26 72 0.19 2 77 5.3 53 78 1.9 19 80 1.9 19 90 0.3 3 91 13.3 133 92 1.1 11 93 6.4 64 102 0.26 3 103 2.2 22 104 2.2 22 105 16 160 106 0.26 3 107 1.1 11 110 1.1 11 115 5.7 57 116 0.3 3 117 7.6 76 118 4.9 49 119 2.2 22 121 0.22 2 122 1.9 19 132 1.5 15 133 1.5 15 135 0.22 2 145 3.8 38 146 3.8 38 149 22.1 221 150 0.11 1 151 1.1 11 161 8 80 162 1.5 15 177 99.99 999 178 11.8 118 179 2.2 22 191 1.5 15 192 1.6 16 193 3.4 34 203 1.1 11 276 1.5 15 //