MassBank Record: JP001305

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ACETIC ACID TERT-BUTYL ESTER; EI-B; MS

Mass Spectrum
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ACCESSION: 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$NAME: TERT-BUTYL ACETATE
CH$NAME: ACETIC ACID TERT-BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373000000000274667399935424327850341796875
CH$SMILES: CC(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
CH$LINK: COMPTOX DTXSID1022055
CH$LINK: INCHIKEY WMOVHXAZOJBABW-UHFFFAOYSA-N

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
//