ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009834
RECORD_TITLE: METHYL 2,3-EPOXY-4-PHENYLBUTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2,3-EPOXY-4-PHENYLBUTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₃
CH$EXACT_MASS: 192.07864
CH$SMILES: COC(=O)C(O1)C(Cc(c2)cccc2)1
CH$IUPAC: InChI=1S/C11H12O3/c1-13-11(12)10-9(14-10)7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
CH$LINK: INCHIKEY IVHYJCFQLLHFHQ-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-001i-3900000000-e3e48467ebf5ed856c2a
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 2.7 27
  29 1.9 19
  39 3.4 34
  51 0.59 6
  55 18.1 181
  63 2.5 25
  65 6.7 67
  77 1.28 13
  78 7 70
  79 4.7 47
  91 20.2 202
  92 0.17 2
  101 7.2 72
  102 2 20
  103 17.2 172
  104 2.03 20
  105 12.3 123
  115 15.5 155
  131 5.9 59
  133 99.99 999
  134 9.4 94
//