MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002511
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002511
RECORD_TITLE: 6-PHENYL-4-METHYLTHIO-1-HEXENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 6-PHENYL-4-METHYLTHIO-1-HEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18S
CH$EXACT_MASS: 206.11292
CH$SMILES: C=CCC(SC)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18S/c1-3-7-13(14-2)11-10-12-8-5-4-6-9-12/h3-6,8-9,13H,1,7,10-11H2,2H3
CH$LINK: INCHIKEY
QLNCUBLOWMDGLA-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-014i-0920000000-390073a5c67da0f41e72
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
61 2.43 24
91 12.36 124
92 1.05 11
102 9.94 99
104 3.73 37
117 99.99 999
118 10.74 107
129 1.24 12
158 4.09 41
165 18.07 181
166 2.13 21
206 39.31 393
207 6.06 61
208 2.25 23
//