MassBank Record: JP000128



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

ACCESSION: JP000128
RECORD_TITLE: P-T-BUTYLCYCLOHEXYL ACETATE (CIS); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: P-T-BUTYLCYCLOHEXYL ACETATE (CIS) CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O2 CH$EXACT_MASS: 198.16198 CH$SMILES: CC(=O)OC([H])(C1)CCC([H])(C1)C(C)(C)C CH$IUPAC: InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+
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$SPLASH: splash10-053u-9000000000-77141ba7158f426ba7eb PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 15 11.1 111 27 13.7 137 28 3.1 31 29 31.9 319 39 15.5 155 40 3 30 41 70.4 704 42 5.1 51 43 99.99 999 44 3.1 31 51 1.9 19 52 1.1 11 53 9.4 94 54 14.2 142 55 27 270 56 57.7 577 57 93.6 936 58 8.2 82 61 40.8 408 62 1 10 65 2.3 23 66 2.2 22 67 70.7 707 68 6.5 65 69 12.1 121 70 2.7 27 71 1.5 15 77 3.4 34 78 1.2 12 79 11.1 111 80 69.3 693 81 51.7 517 82 80.6 806 83 38.5 385 84 3.6 36 91 1.5 15 93 1.3 13 94 1.9 19 95 8.3 83 96 3.6 36 97 2.4 24 98 1 10 99 3.3 33 107 1.1 11 109 1.6 16 110 2 20 117 3.7 37 123 24.3 243 124 3.3 33 138 27.1 271 139 5.2 52 142 3.1 31 143 6.1 61 //