MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008563

2-PENTYL BUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008563
RECORD_TITLE: 2-PENTYL BUTYRATE; 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$NAME: 2-PENTYL BUTYRATE
CH$NAME: 1-METHYLBUTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCC(C)OC(=O)CCC
CH$IUPAC: InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY DJOCFLQKCMWABC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50866810

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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$SPLASH: splash10-00dl-9000000000-20b64b354a214dfa86bc
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
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//