MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006974

1,3-DIMETHYLBUTYL ISOBUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006974
RECORD_TITLE: 1,3-DIMETHYLBUTYL 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$NAME: 1,3-DIMETHYLBUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CC(C)CC(C)OC(=O)C(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-7(2)6-9(5)12-10(11)8(3)4/h7-9H,6H2,1-5H3
CH$LINK: INCHIKEY KOTIQBSLRXNDQH-UHFFFAOYSA-N

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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$SPLASH: splash10-006x-9000000000-d52f9874f8640dde8883
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 13.41 134
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//