ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001304
RECORD_TITLE: ACETIC ACID SEC-BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ACETIC ACID SEC-BUTYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-6b5b933f04a6138fca4a
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 3.04 30
  27 3.65 37
  28 2.17 22
  29 7.31 73
  39 2.37 24
  41 11.64 116
  42 1.83 18
  43 99.99 999
  44 2.44 24
  45 2.84 28
  55 2.64 26
  56 19.62 196
  57 5.95 60
  61 4.19 42
  72 1 10
  73 4.26 43
  87 14.75 148
  101 2.57 26
//