ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005457
RECORD_TITLE: ETHYL 3-HYDROXYBUTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 3-HYDROXYBUTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₃
CH$EXACT_MASS: 132.07864
CH$SMILES: CCOC(=O)CC(C)O
CH$IUPAC: InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
CH$LINK: INCHIKEY OMSUIQOIVADKIM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025305

AC$INSTRUMENT: HITACHI M-52
AC$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$SPLASH: splash10-0079-9100000000-2cfa78e1dd2a78c6c2bf
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  43 23.2 232
  44 2.8 28
  45 12 120
  55 0.15 2
  58 2.7 27
  60 3.8 38
  61 3.5 35
  68 0.38 4
  69 2.9 29
  70 86.7 867
  71 3 30
  72 0.24 2
  75 14.9 149
  85 3.3 33
  86 1.4 14
  87 99.99 999
  88 39.2 392
  89 7.3 73
  99 26.3 263
  103 2.13 21
  114 0.9 9
  117 36.2 362
  118 0.7 7
  119 3 30
//