MassBank Record: JP002295



 3,5-DI-TERT-BUTYLBENZOICACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002295
RECORD_TITLE: 3,5-DI-TERT-BUTYLBENZOICACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3,5-DI-TERT-BUTYLBENZOICACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H22O2 CH$EXACT_MASS: 234.16198 CH$SMILES: OC(=O)c(c1)cc(cc1C(C)(C)C)C(C)(C)C CH$IUPAC: InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)
AC$INSTRUMENT: JEOL JMS-D-3000 AC$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$SPLASH: splash10-014i-7290000000-65b93c0a785c5a5fe6d8 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 40 10.25 103 43 2.78 28 44 25.02 250 45 1.15 12 51 1.91 19 53 1.12 11 55 3.01 30 56 2.02 20 57 35.36 354 58 2.43 24 64 1.37 14 65 1.38 14 69 3.4 34 73 1.17 12 77 2.14 21 78 2.79 28 79 2.7 27 87 2.01 20 88 3.92 39 91 5.34 53 102 3.96 40 103 1.03 10 105 1.85 19 115 2.61 26 116 1.03 10 117 1.9 19 119 2.02 20 128 1.8 18 129 1.4 14 131 2.01 20 135 1.32 13 145 1.37 14 163 2.38 24 175 1.11 11 189 2.19 22 191 7.2 72 192 1.15 12 203 1.21 12 217 1.3 13 219 99.99 999 220 16.88 169 221 5 50 234 12.88 129 235 2.39 24 //