MassBank Record: JP009161



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

ACCESSION: JP009161
RECORD_TITLE: BENZENETHIOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BENZENETHIOL CH$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 M-80B 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: splash10-03xr-9400000000-963c74e11e0fee28cded PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 26 1.92 19 27 3.94 39 33 1.84 18 37 4.37 44 38 6.68 67 39 21.5 215 40 1.04 10 45 12.78 128 49 1.91 19 50 14.54 145 51 19.39 194 52 1.55 16 54 1.39 14 55 4.12 41 57 4.42 44 58 5.84 58 59 1.3 13 61 1.72 17 62 2.21 22 63 5.06 51 65 14.35 144 66 38.72 387 67 1.44 14 69 15.28 153 70 1.34 13 71 3.06 31 73 1.16 12 74 4.88 49 75 1.86 19 76 1.4 14 77 15.49 155 78 2.11 21 81 3.31 33 82 5.02 50 83 1.93 19 84 18.06 181 95 1.58 16 108 2.7 27 109 22.59 226 110 99.99 999 111 7.94 79 112 4.39 44 //