MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005257

ISOVALERIC ACID CINNAMYL ESTER; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005257
RECORD_TITLE: ISOVALERIC ACID CINNAMYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

---

CH$NAME: ISOVALERIC ACID CINNAMYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₂
CH$EXACT_MASS: 218.13068
CH$SMILES: CC(C)CC(=O)OCC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+
CH$LINK: INCHIKEY FOCMOGKCPPTERB-RMKNXTFCSA-N

---

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

---

MS$FOCUSED_ION: ION_TYPE [M]+*

---

PK$SPLASH: splash10-05n0-9300000000-ae0924c028ab9431d694
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 16.62 166
  29 17.93 179
  39 19.33 193
  41 22.43 224
  51 8.72 87
  57 85.59 856
  63 4.31 43
  65 4.21 42
  77 9.42 94
  85 99.99 999
  91 14.52 145
  103 4.71 47
  115 37.04 370
  117 51.96 520
  118 6.02 60
  131 1.41 14
  133 7.32 73
  134 6.72 67
  218 12.82 128
  219 2.01 20
//