ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004896
RECORD_TITLE: ETHYL 2-ETHOXYCARBONYL-3-METHYL-4-PHENYLPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2-ETHOXYCARBONYL-3-METHYL-4-PHENYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₄O₄
CH$EXACT_MASS: 292.16746
CH$SMILES: CCOC(=O)C(C(=O)OCC)C(C)C(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H24O4/c1-5-20-16(18)15(17(19)21-6-2)13(4)12(3)14-10-8-7-9-11-14/h7-13,15H,5-6H2,1-4H3
CH$LINK: INCHIKEY VRPMYZZOZHSWRF-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-053r-0900000000-9d953bc2a18dce5b5a04
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  79 4.2 42
  87 3 30
  88 2.9 29
  91 0.62 6
  103 2.1 21
  104 3.9 39
  105 64.8 648
  106 0.86 9
  113 1 10
  114 1.2 12
  115 4.7 47
  117 1.4 14
  129 3.1 31
  131 2.3 23
  132 99.99 999
  133 1.83 18
  141 3.4 34
  142 1.2 12
  145 2.9 29
  160 1.83 18
  161 16.7 167
  173 4.1 41
  184 1.1 11
  201 1.12 11
  202 1.1 11
  247 3.9 39
  292 0.2 2
//