MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005911

ISOPROPYL ISOBUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005911
RECORD_TITLE: ISOPROPYL ISOBUTYRATE; 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$NAME: ISOPROPYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CC(C)OC(=O)C(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3
CH$LINK: INCHIKEY WVRPFQGZHKZCEB-UHFFFAOYSA-N

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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$SPLASH: splash10-0076-9000000000-2fb4fb658bb2f0112cf0
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  27 2.91 29
  31 1.45 15
  41 9.09 91
  42 13.33 133
  43 99.99 999
  44 3.51 35
  57 1.57 16
  59 5.09 51
  71 77.45 775
  72 3.64 36
  73 3.88 39
  88 3.15 32
  89 69.45 695
  90 3.57 36
  101 5.09 51
//