MassBank Record: JP001557



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

ACCESSION: JP001557
RECORD_TITLE: 1.3-CYCLOOCTADIENE; 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$NAME: 1.3-CYCLOOCTADIENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H12 CH$EXACT_MASS: 108.09390 CH$SMILES: C(C1)CC=CC=CC1 CH$IUPAC: InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-
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$SPLASH: splash10-004l-9000000000-b2dc85088642111216e7 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 26 2.28 23 27 21.86 219 28 3.45 35 29 3.92 39 38 3.33 33 39 38.48 385 40 5.54 55 41 28.6 286 42 1.51 15 50 6.05 61 51 13.92 139 52 8.58 86 53 10.23 102 54 13.51 135 55 2.3 23 62 1.36 14 63 3.8 38 65 14.39 144 66 19.2 192 67 52.54 525 68 3.69 37 74 1.06 11 77 31.19 312 78 12.12 121 79 99.99 999 80 54.13 541 81 4.87 49 91 18.93 189 92 2.36 24 93 50.45 505 94 4.01 40 105 1.48 15 107 3.86 39 108 44.28 443 109 3.93 39 //