ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004895
RECORD_TITLE: ETHYL 2-ETHOXYCARBONYL-3-(1-PHENETHYL)HEPTANOATE; 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$NAME: ETHYL 2-ETHOXYCARBONYL-3-(1-PHENETHYL)HEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₀O₄
CH$EXACT_MASS: 334.21441
CH$SMILES: CCCCC(C(C)c(c1)cccc1)C(C(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C20H30O4/c1-5-8-14-17(15(4)16-12-10-9-11-13-16)18(19(21)23-6-2)20(22)24-7-3/h9-13,15,17-18H,5-8,14H2,1-4H3
CH$LINK: INCHIKEY XCTWZWXHVJCPBJ-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$SPLASH: splash10-00di-0900000000-124fc8f29449ff081413
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  104 3.2 32
  105 28.6 286
  106 1.3 13
  115 0.2 2
  118 26.5 265
  119 1.8 18
  129 1.1 11
  132 0.36 4
  133 1.4 14
  137 2.8 28
  155 2.6 26
  159 0.58 6
  160 16.8 168
  161 21.6 216
  162 2.4 24
  174 99.99 999
  176 1.6 16
  183 3.4 34
  184 1 10
  289 0.49 5
  355 0.3 3
//