MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005978

ETHYL ISOBUTYRATE; CI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005978
RECORD_TITLE: ETHYL ISOBUTYRATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

---

CH$NAME: ETHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
CH$LINK: INCHIKEY WDAXFOBOLVPGLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047728

---

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

---

PK$SPLASH: splash10-00dr-9100000000-16a5b597c42a23d7f22b
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  71 4.34 43
  72 99.99 999
  73 26.56 266
  74 2.08 21
  77 1.14 11
  87 8.28 83
  88 61.45 615
  89 38.52 385
  101 6.78 68
  116 14.72 147
  117 12.84 128
//