MassBank Record: JP002585



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

ACCESSION: JP002585
RECORD_TITLE: CYCLOOCTANONE; 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$NAME: CYCLOOCTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H14O CH$EXACT_MASS: 126.10447 CH$SMILES: O=C(C1)CCCCCC1 CH$IUPAC: InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
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$SPLASH: splash10-0537-9000000000-0250ac590e2457da19e3 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 15 3.74 37 26 4.22 42 27 42.32 423 28 20.26 203 29 29.68 297 38 2.2 22 39 39.62 396 40 8.68 87 41 85.33 853 42 75.91 759 43 15.72 157 44 1.28 13 50 1.57 16 51 3.21 32 52 1.56 16 53 8.52 85 54 10.83 108 55 70.31 703 56 40.52 405 57 6.69 67 58 6.51 65 59 1.22 12 65 1.43 14 66 1.18 12 67 20.9 209 68 17.2 172 69 25.68 257 70 21.88 219 71 7.35 74 72 1.7 17 77 1.02 10 79 4.26 43 80 3.65 37 81 2.49 25 82 48.26 483 83 38.62 386 84 49.16 492 85 3.82 38 93 5.9 59 95 1.33 13 97 24.07 241 98 99.99 999 99 6.75 68 108 1.41 14 111 9.3 93 112 1.04 10 126 31.02 310 127 3.22 32 //