MassBank Record: JP001547



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

ACCESSION: JP001547
RECORD_TITLE: CYCLOHEXANONE; 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$NAME: CYCLOHEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H10O CH$EXACT_MASS: 98.07316 CH$SMILES: O=C(C1)CCCC1 CH$IUPAC: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
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$SPLASH: splash10-052f-9000000000-88641988de1851f0ca4a PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 14 1.53 15 15 3.26 33 26 4.9 49 27 26.23 262 28 10.7 107 29 9.08 91 37 1.55 16 38 3.75 38 39 27.88 279 40 7.7 77 41 38.48 385 42 64.13 641 43 12.2 122 50 2.15 22 51 2.28 23 52 1.13 11 53 3.36 34 54 8.9 89 55 99.99 999 56 10.9 109 57 1.85 19 67 1.15 12 68 1.03 10 69 32.23 322 70 24.78 248 71 2.28 23 80 6.78 68 81 10.11 101 97 3.18 32 98 45.21 452 99 3.38 34 //