MassBank Record: JP006779



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

ACCESSION: JP006779
RECORD_TITLE: BENZENETHIOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BENZENETHIOL CH$NAME: THIOPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H6S CH$EXACT_MASS: 110.01902 CH$SMILES: Sc(c1)cccc1 CH$IUPAC: InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H CH$LINK: INCHIKEY RMVRSNDYEFQCLF-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-7M AC$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$SPLASH: splash10-03di-8900000000-f00b12d067160b203ec9 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 37 1.75 18 38 2.63 26 39 9.65 97 45 6.2 62 50 6.26 63 51 9.82 98 55 2.75 28 57 1.75 18 58 2.98 30 63 2.63 26 65 10.64 106 66 33.92 339 69 7.6 76 77 11.58 116 84 14.56 146 108 2.46 25 109 22.11 221 110 99.99 999 111 8.25 83 112 4.62 46 //