MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007069

ISOBUTYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007069
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL ACETATE
CH$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$LINK: CAS 110-19-0
CH$LINK: INCHIKEY GJRQTCIYDGXPES-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026837

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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$SPLASH: splash10-0006-9000000000-ef6ece5c35a5dd154ad5
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 3.28 33
  27 4.78 48
  29 3.98 40
  39 5.33 53
  40 1.04 10
  41 11.6 116
  42 3.16 32
  43 99.99 999
  44 2.5 25
  55 2.32 23
  56 32.38 324
  57 4.06 41
  61 3.14 31
  71 3.43 34
  73 19.57 196
  74 1.72 17
  86 2.32 23
//