MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005982

BUTYL ISOBUTYRATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005982
RECORD_TITLE: BUTYL ISOBUTYRATE; CI-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$NAME: BUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY JSLCOZYBKYHZNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9073888

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-0079-9000000000-daacd4b011914e28155d
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  72 58.9 589
  73 8.35 84
  88 2.08 21
  89 99.99 999
  101 2.61 26
  145 9.65 97
//