MassBank Record: JP000126



 O-T-BUTYLCYCLOHEXYL ACETATE (CIS); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000126
RECORD_TITLE: O-T-BUTYLCYCLOHEXYL ACETATE (CIS); EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: O-T-BUTYLCYCLOHEXYL ACETATE (CIS) CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O2 CH$EXACT_MASS: 198.16198 CH$SMILES: CC(=O)OC([H])(C1)C([H])(CCC1)C(C)(C)C CH$IUPAC: InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+/m0/s1 CH$LINK: INCHIKEY FINOAUDUYKVGDS-WDEREUQCSA-N
AC$INSTRUMENT: HITACHI RMU-6M 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: splash10-053r-9000000000-96684ae125e6e0b2ca19 PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 15 6.1 61 27 16.1 161 28 2.4 24 29 15.9 159 39 10.5 105 40 1.5 15 41 33.7 337 42 2 20 53 5.2 52 54 8.2 82 55 13.1 131 56 8.2 82 57 99.99 999 58 4.8 48 59 1.1 11 61 14.1 141 65 2.4 24 66 1 10 67 43.7 437 68 3 30 69 6.9 69 70 2.1 21 71 1.5 15 77 1.9 19 79 4.2 42 80 15.5 155 81 19.9 199 82 72.1 721 83 12.4 124 84 1.4 14 85 1.5 15 91 1.2 12 93 1.4 14 95 5.4 54 96 1.3 13 97 1.2 12 99 2.8 28 102 1 10 107 1.1 11 109 1.2 12 110 1.2 12 117 10.2 102 118 1.1 11 123 15.1 151 124 1.9 19 138 8.2 82 139 1.7 17 141 1.9 19 142 2.4 24 143 1.3 13 //