MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007070

TERT-BUTYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007070
RECORD_TITLE: TERT-BUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS 540-88-5
CH$LINK: INCHIKEY WMOVHXAZOJBABW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1022055

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AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-052f-9000000000-d84d771268471c3e5ca5
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 8.12 81
  27 7.59 76
  28 1.76 18
  29 15.99 160
  31 2.72 27
  39 11.94 119
  40 1.78 18
  41 32.58 326
  42 4.39 44
  43 99.99 999
  44 2.39 24
  55 2.75 28
  56 29.67 297
  57 54.56 546
  58 2.62 26
  59 33.82 338
  61 1.85 19
  101 15.93 159
//