ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004898
RECORD_TITLE: ETHYL 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$NAME: ETHYL 3-(1-PHENETHYL)HEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₆O₂
CH$EXACT_MASS: 262.19328
CH$SMILES: CCCCC(CC(=O)OCC)C(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H26O2/c1-4-6-10-16(13-17(18)19-5-2)14(3)15-11-8-7-9-12-15/h7-9,11-12,14,16H,4-6,10,13H2,1-3H3
CH$LINK: INCHIKEY MVSHDPNATFNVJJ-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$SPLASH: splash10-0ab9-1910000000-dcd7b5685b55a176da72
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  55 2.1 21
  69 5.6 56
  79 1.3 13
  83 0.85 9
  85 3.3 33
  88 4.7 47
  91 10.1 101
  104 0.72 7
  105 99.99 999
  106 15.9 159
  111 4 40
  118 1.27 13
  119 1.5 15
  129 5.1 51
  130 2.6 26
  131 1.76 18
  157 2.1 21
  159 4.2 42
  174 61.2 612
  176 2.11 21
  204 1.6 16
  216 4.2 42
  217 9.5 95
  263 7.9 79
//