MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010873

PHENETHYL OCTANOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010873
RECORD_TITLE: PHENETHYL OCTANOATE; 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$NAME: PHENETHYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₄O₂
CH$EXACT_MASS: 248.17763
CH$SMILES: CCCCCCCC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
CH$LINK: INCHIKEY ASETYIALRXDVDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4063909

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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$SPLASH: splash10-0udi-4900000000-96f6348b4b447ff46b28
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
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  127 3.2 32
//