MassBank Record: JP000925



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

ACCESSION: JP000925
RECORD_TITLE: 2-PHENYLETHYL ISOTHIOCYANATE; 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$NAME: 2-PHENYLETHYL ISOTHIOCYANATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9NS CH$EXACT_MASS: 163.04557 CH$SMILES: S=C=NCCc(c1)cccc1 CH$IUPAC: InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
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$SPLASH: splash10-0lxx-9600000000-1487c40cb717ac50d540 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 39 9.1 91 50 14.1 141 51 29.3 293 58 0.61 6 63 27.3 273 65 45.5 455 72 47.5 475 77 5.25 53 78 30.3 303 79 40.4 404 89 22.2 222 90 0.91 9 91 91.9 919 92 54.6 546 101 3 30 102 1.01 10 103 44.4 444 104 23.2 232 105 75.8 758 106 1.41 14 128 6.1 61 135 9.1 91 163 99.99 999 164 3.33 33 165 15.2 152 //