MassBank Record: JP002506



 4-(4-METHOXYPHENYL)-4-METHYLTHIO-1-BUTENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002506
RECORD_TITLE: 4-(4-METHOXYPHENYL)-4-METHYLTHIO-1-BUTENE; 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$NAME: 4-(4-METHOXYPHENYL)-4-METHYLTHIO-1-BUTENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16OS CH$EXACT_MASS: 208.09219 CH$SMILES: C=CCC(SC)c(c1)ccc(OC)c1 CH$IUPAC: InChI=1S/C12H16OS/c1-4-5-12(14-3)10-6-8-11(13-2)9-7-10/h4,6-9,12H,1,5H2,2-3H3
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$SPLASH: splash10-03xr-2900000000-7e785972c017ccb8fee8 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 50 5.94 59 51 11.23 112 52 3.03 30 53 3.38 34 62 3.66 37 63 12.92 129 64 5.49 55 65 12.19 122 75 4.11 41 76 3.76 38 77 11.85 119 78 4.97 50 79 5.36 54 80 3.8 38 89 9.3 93 91 29.03 290 92 3.78 38 94 10.48 105 102 8.86 89 103 4.5 45 107 3.45 35 115 42.59 426 116 13.57 136 117 28.53 285 118 3.86 39 119 4.57 46 121 8.07 81 127 16.07 161 128 24.71 247 129 42.97 430 130 9.67 97 131 8.33 83 134 3.4 34 143 3.2 32 144 40.83 408 145 36.36 364 146 10.73 107 151 4.85 49 152 5.03 50 158 6.68 67 159 67.03 670 160 99.99 999 161 59.72 597 162 7.17 72 167 51.94 519 168 5.91 59 174 11.99 120 208 3.17 32 //