MassBank Record: JP000924



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

ACCESSION: JP000924
RECORD_TITLE: 7-METHYLTHIOHEPTANENITRILE; 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$NAME: 7-METHYLTHIOHEPTANENITRILE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H15NS CH$EXACT_MASS: 157.09252 CH$SMILES: N#CCCCCCCSC CH$IUPAC: InChI=1S/C8H15NS/c1-10-8-6-4-2-3-5-7-9/h2-6,8H2,1H3
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$SPLASH: splash10-03e9-9000000000-6a5898b538c7fbb464ae PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 41 11 110 55 16.5 165 61 99.99 999 62 0.8 8 63 5.5 55 69 32.5 325 81 11 110 82 4.35 44 83 99 990 96 18.5 185 110 14 140 142 0.25 3 157 13.5 135 158 1.5 15 159 1 10 //