MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001525

TERT-BUTYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001525
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 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-052f-9000000000-cfe87856bed7b9706c96
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  14 1.11 11
  15 9.16 92
  27 10.69 107
  28 2.34 23
  29 17.89 179
  31 3.54 35
  39 8.31 83
  40 1.53 15
  41 32.97 330
  42 2.13 21
  43 99.99 999
  44 2.43 24
  55 2.98 30
  56 38.81 388
  57 52.82 528
  58 2.26 23
  59 35.95 360
  60 1.32 13
  61 2.56 26
  101 16.95 170
//