MassBank Record: JP000923



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

ACCESSION: JP000923
RECORD_TITLE: 6-METHYLTHIOHEXANENITRILE; 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$NAME: 6-METHYLTHIOHEXANENITRILE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H13NS CH$EXACT_MASS: 143.07687 CH$SMILES: N#CCCCCCSC CH$IUPAC: InChI=1S/C7H13NS/c1-9-7-5-3-2-4-6-8/h2-5,7H2,1H3
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$SPLASH: splash10-01ox-9100000000-1b714c059fb8b0326888 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 32 22.5 225 39 21 210 41 52 520 45 2 20 48 21 210 55 37.5 375 61 99.99 999 62 1.15 12 63 6 60 69 26 260 73 6.5 65 75 1 10 82 13.5 135 85 6 60 96 27.5 275 97 1.9 19 128 7.5 75 143 54.5 545 144 8.5 85 145 5 50 //