MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002533

PHENETHYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002533
RECORD_TITLE: PHENETHYL ACETATE; EI-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$NAME: PHENETHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
CH$LINK: INCHIKEY MDHYEMXUFSJLGV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7044506

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AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0udl-9700000000-b8614ae98ed2ee102473
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 3.69 37
  27 1.94 19
  28 2.9 29
  39 4.69 47
  41 1.24 12
  43 71.07 711
  44 1.68 17
  50 1.66 17
  51 5.11 51
  52 1.44 14
  63 2.3 23
  65 6.57 66
  73 1.14 11
  77 5.01 50
  78 4.35 44
  79 2.02 20
  89 1.2 12
  91 17.04 170
  92 3.39 34
  103 4.61 46
  104 99.99 999
  105 11.87 119
//