MassBank Record: JP000755



 7-OXO-8-(PHENYLTHIO)BICYCLO(4.2.0)OCTANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000755
RECORD_TITLE: 7-OXO-8-(PHENYLTHIO)BICYCLO(4.2.0)OCTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 7-OXO-8-(PHENYLTHIO)BICYCLO(4.2.0)OCTANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H16OS CH$EXACT_MASS: 232.09219 CH$SMILES: c(c3)ccc(c3)SC(C(=O)1)C(C2)C(CCC2)1 CH$IUPAC: InChI=1S/C14H16OS/c15-13-11-8-4-5-9-12(11)14(13)16-10-6-2-1-3-7-10/h1-3,6-7,11-12,14H,4-5,8-9H2
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f6t-9350000000-82777858ed1d4741ef3a PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 28 10 100 41 10 100 45 5.5 55 53 0.32 3 54 2.5 25 55 9.2 92 65 2 20 66 0.53 5 67 19.4 194 77 7.9 79 78 4.8 48 79 1.71 17 80 2.9 29 81 4 40 85 4.3 43 91 0.67 7 93 7.2 72 94 32.4 324 95 99.99 999 96 0.63 6 105 7.6 76 109 6.9 69 110 15.8 158 111 0.26 3 115 4.2 42 116 4.3 43 121 10.5 105 122 1.1 11 123 12.8 128 124 2 20 126 2 20 127 0.25 3 129 2.2 22 134 2.1 21 135 4.4 44 136 0.85 9 147 5 50 149 2.8 28 150 7.8 78 175 0.31 3 190 2.8 28 203 2.5 25 204 82.4 824 205 1.25 13 206 7.3 73 232 29.7 297 233 5 50 234 2.5 25 //