ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001305
RECORD_TITLE: ACETIC ACID TERT-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$NAME: ACETIC ACID TERT-BUTYL ESTER
CH$NAME: TERT-BUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CC(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
CH$LINK: INCHIKEY WMOVHXAZOJBABW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1022055

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$SPLASH: splash10-052f-9000000000-278b388e9e9be2c9f2d0
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 5.61 56
  27 4.55 46
  28 2.91 29
  29 16.77 168
  31 3.2 32
  39 7.11 71
  40 1.42 14
  41 35.54 355
  42 2.91 29
  43 99.99 999
  44 2.2 22
  45 1.35 14
  55 3.34 33
  56 39.37 394
  57 49.96 500
  58 2.27 23
  59 35.89 359
  60 1.99 20
  61 2.2 22
  101 15.07 151
  102 1 10
//