MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005166

TERT-BUTYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005166
RECORD_TITLE: TERT-BUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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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

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AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4l-9000000000-4ca2c6c1dc82d9a3fd65
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  29 11.06 111
  31 1.23 12
  41 23.82 238
  43 99.99 999
  44 2.31 23
  55 1.88 19
  56 67.27 673
  57 73.35 734
  58 3.12 31
  59 42.74 427
  60 1.39 14
  61 3.86 39
  101 27.97 280
  102 1.67 17
//