MassBank Record: JP002584



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

ACCESSION: JP002584
RECORD_TITLE: CYCLOHEPTANONE; 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$NAME: CYCLOHEPTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12O CH$EXACT_MASS: 112.08882 CH$SMILES: O=C(C1)CCCCC1 CH$IUPAC: InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
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$SPLASH: splash10-066u-9000000000-ed71a0e9af8214edb182 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 15 2.85 29 26 4.5 45 27 33.75 338 28 22.98 230 29 14.46 145 38 2.41 24 39 31.71 317 40 7.45 75 41 74.67 747 42 34.76 348 43 19.93 199 50 1.83 18 51 2.68 27 52 1.11 11 53 5.64 56 54 4.44 44 55 78.14 781 56 51.66 517 57 3.6 36 58 3.48 35 67 4.85 49 68 99.99 999 69 29.97 300 70 11.96 120 71 1.69 17 79 2.95 30 81 1.02 10 83 13.99 140 84 38.4 384 85 2.39 24 94 3.16 32 97 7.2 72 112 44.2 442 113 3.55 36 //