MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005830

TERT-BUTYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005830
RECORD_TITLE: TERT-BUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4l-9000000000-757f50eb0b5073d948ce
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 1.91 19
  29 13.67 137
  31 1.82 18
  39 4.19 42
  40 1.22 12
  41 38.58 386
  42 2.61 26
  43 99.99 999
  44 2.12 21
  55 3.16 32
  56 36.38 364
  57 95.12 951
  58 4.27 43
  59 43.2 432
  60 1.54 15
  61 2.28 23
  101 23.16 232
  102 1.36 14
  117 2.4 24
//