ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008532
RECORD_TITLE: SEC-BUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: SEC-BUTYL ACETATE
CH$NAME: ACETIC ACID 1-METHYLPROPYL ESTER
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-e1a3e83cd1aa51bf49ee
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 3.71 37
  27 6.01 60
  28 1.47 15
  29 8.61 86
  39 3.58 36
  41 11.66 117
  42 2.39 24
  43 99.99 999
  44 2.85 29
  45 2.63 26
  55 2.38 24
  56 19.36 194
  57 8.08 81
  61 5.2 52
  73 5.37 54
  87 18.85 189
  101 3.77 38
//