MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009063

2-METHYLBUTYL ISOBUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009063
RECORD_TITLE: 2-METHYLBUTYL ISOBUTYRATE; 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$NAME: 2-METHYLBUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCC(C)COC(=O)C(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-5-8(4)6-11-9(10)7(2)3/h7-8H,5-6H2,1-4H3
CH$LINK: CAS 2445-69-4
CH$LINK: INCHIKEY DUAXUBMIVRZGCO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80862946

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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$SPLASH: splash10-00dl-9000000000-fe6158430ffd9a69ec68
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  31 1.56 16
  32 1.93 19
  39 7.65 77
  41 24.45 245
  42 9.53 95
  43 99.99 999
  44 2.29 23
  45 2.11 21
  53 1.45 15
  55 14.62 146
  56 2.1 21
  57 5.71 57
  69 1.54 15
  70 60.76 608
  71 89.11 891
  72 3.36 34
  73 1.65 17
  85 4.35 44
  87 1.44 14
  88 1.65 17
  89 7.14 71
  101 4.42 44
//