MassBank Record: JP001531



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

ACCESSION: JP001531
RECORD_TITLE: CYCLOHEXYL ACETATE; 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$NAME: CYCLOHEXYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H14O2 CH$EXACT_MASS: 142.09938 CH$SMILES: CC(=O)OC(C1)CCCC1 CH$IUPAC: InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
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$SPLASH: splash10-0006-9000000000-80d076308eba33206483 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 15 5.65 57 27 8.8 88 28 2.25 23 29 6.2 62 31 1.05 11 39 9.05 91 40 1.5 15 41 16.65 167 42 3 30 43 99.99 999 44 4.75 48 51 1 10 53 2.65 27 54 18.7 187 55 16.1 161 56 1.9 19 57 8.05 81 58 7.35 74 59 1.65 17 61 8.85 89 67 52.15 522 68 3 30 71 3.5 35 72 1.5 15 79 1.45 15 81 7.75 78 82 25.5 255 83 10.55 106 99 4.35 44 100 4.95 50 //