MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005167

ISOBUTYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005167
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CC(C)COC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
CH$LINK: INCHIKEY GJRQTCIYDGXPES-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026837

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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$SPLASH: splash10-052f-9000000000-497069f05d541433b66e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  29 1.85 19
  41 7.17 72
  43 99.99 999
  44 2.22 22
  55 2.17 22
  56 51.43 514
  57 4.61 46
  61 4.62 46
  71 5.32 53
  73 25.42 254
  74 2.93 29
  86 3.48 35
  116 0.6 6
//