ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006492
RECORD_TITLE: ETHYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCC(=O)OCC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY OBNCKNCVKJNDBV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6040111

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0096-9000000000-8f2e75f476f548f5d68d
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 4.06 41
  18 1.62 16
  26 6.36 64
  27 48.1 481
  28 9.51 95
  29 67.97 680
  30 2.28 23
  31 2.55 26
  38 1.56 16
  39 17.18 172
  40 2.55 26
  41 32.61 326
  42 20.9 209
  43 99.99 999
  44 4.13 41
  45 19 190
  55 4.13 41
  60 22.19 222
  61 9.93 99
  69 1.04 10
  70 9.43 94
  71 98.25 983
  72 4.34 43
  73 19.53 195
  88 49.53 495
  89 12.85 129
  101 6.51 65
  116 3.45 35
//