MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005825

BETA-PHENETHYL ALCOHOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005825
RECORD_TITLE: BETA-PHENETHYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: BETA-PHENETHYL ALCOHOL
CH$NAME: BETA-PHENYLETHYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: CC(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
CH$LINK: INCHIKEY WAPNOHKVXSQRPX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020859

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9200000000-b5c36588b8f2c5158683
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  31 1 10
  65 3.86 39
  77 1 10
  78 3.18 32
  91 99.08 991
  92 99.99 999
  93 7.5 75
  103 1.61 16
  104 2.75 28
  122 57.22 572
  123 4.91 49
//