MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005216

ALLYL PHENYLACETATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005216
RECORD_TITLE: ALLYL PHENYLACETATE; 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$NAME: ALLYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₂
CH$EXACT_MASS: 176.08373
CH$SMILES: C=CCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
CH$LINK: INCHIKEY ZCDYAMJXVAUTIM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8061977

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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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-004i-0900000000-933cb8074ca2bf3472b3
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  91 10.52 105
  92 1.27 13
  119 1.22 12
  131 11.94 119
  132 1.33 13
  149 1.15 12
  159 8.4 84
  160 1.06 11
  171 2.39 24
  176 12.55 126
  177 99.99 999
  178 16.05 161
  179 1.63 16
//