MassBank Record: JP000127



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

ACCESSION: JP000127
RECORD_TITLE: O-T-BUTYLCYCLOHEXYL ACETATE (TRANS); 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$NAME: O-T-BUTYLCYCLOHEXYL ACETATE (TRANS) CH$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-/m1/s1 CH$LINK: INCHIKEY FINOAUDUYKVGDS-GHMZBOCLSA-N
AC$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: splash10-053u-9000000000-82b23afce5319647c48b PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 15 8.2 82 27 9.2 92 28 2.1 21 29 17.8 178 39 9.3 93 40 1.8 18 41 35.5 355 42 3 30 43 54.3 543 44 1.7 17 53 4.6 46 54 11.6 116 55 13.7 137 56 10 100 57 99.99 999 58 4.5 45 61 17.3 173 65 1.3 13 66 1.2 12 67 47.5 475 68 3 30 69 6.5 65 70 2.2 22 71 1.5 15 75 1.3 13 79 3.4 34 80 11.4 114 81 19.1 191 82 77.1 771 83 13.9 139 84 1.1 11 93 6.5 65 95 3.8 38 96 1 10 97 1.2 12 99 2.5 25 110 1 10 117 7.9 79 123 13.8 138 124 1.5 15 138 3.8 38 139 1.5 15 141 1.6 16 142 1.9 19 143 2.5 25 //