ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008826
RECORD_TITLE: ETHYL 2-PHENYLTHIOPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2-PHENYLTHIOPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂S
CH$EXACT_MASS: 210.07145
CH$SMILES: CCOC(=O)C(C)Sc(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2S/c1-3-13-11(12)9(2)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
CH$LINK: INCHIKEY AFQJVOVRMATZLA-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-000i-1920000000-c759c900a72718ea9e0d
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  31 1.3 13
  39 3.11 31
  40 1.53 15
  45 1.35 14
  50 1.07 11
  51 2.45 25
  56 1.18 12
  59 0.1 1
  65 5.14 51
  66 1.12 11
  77 4.48 45
  78 1.74 17
  91 1.32 13
  103 4.83 48
  104 3.83 38
  109 20.61 206
  135 4.96 50
  137 99.99 999
  138 9.94 99
  139 5.77 58
  210 36.7 367
  211 4.7 47
  212 2.3 23
//