MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006999

PHENYLETHYL HEXANOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006999
RECORD_TITLE: PHENYLETHYL HEXANOATE; 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$NAME: PHENYLETHYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O₂
CH$EXACT_MASS: 220.14633
CH$SMILES: CCCCCC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
CH$LINK: INCHIKEY BUYNWUMUDHPPDS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047584

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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$SPLASH: splash10-0udi-4900000000-0841c992786af8b784b3
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
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  106 1.27 13
//