MassBank Record: JP000926



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

ACCESSION: JP000926
RECORD_TITLE: 8-METHYLTHIOOCTANENITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KAMEOKA H, DEPT. OF APPLIED CHEMISTRY, FAC. OF SCI. AND ENGINEERING, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 8-METHYLTHIOOCTANENITRILE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H17NS CH$EXACT_MASS: 171.10817 CH$SMILES: N#CCCCCCCCSC CH$IUPAC: InChI=1S/C9H17NS/c1-11-9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$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$SPLASH: splash10-08mj-9300000000-b7f4cd2ba8c288de6d19 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 41 11.5 115 48 10.5 105 55 55.5 555 61 99.99 999 69 21.5 215 75 16.5 165 82 17.5 175 83 3.6 36 84 26.5 265 94 27 270 95 18.5 185 96 9.9 99 97 33.5 335 110 14.5 145 124 32 320 125 0.3 3 126 2 20 156 20.5 205 171 54 540 172 0.95 10 173 3 30 //