ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005831
RECORD_TITLE: SEC-BUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: SEC-BUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCC(C)OC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
CH$LINK: INCHIKEY DCKVNWZUADLDEH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047612

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$SPLASH: splash10-0006-9000000000-65bca2aad8c90318a0c6
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  29 4.02 40
  41 9.82 98
  42 1 10
  43 99.99 999
  44 2.41 24
  45 2.53 25
  55 2.35 24
  56 22.81 228
  57 11.58 116
  61 8.76 88
  72 1.04 10
  73 7.02 70
  87 24.25 243
  88 1.12 11
  101 4.27 43
  116 3.27 33
//