MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000994

2-PHENYLETHANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000994
RECORD_TITLE: 2-PHENYLETHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: 2-PHENYLETHANOL
CH$NAME: BETA-PHENYLETHYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
CH$LINK: INCHIKEY WRMNZCZEMHIOCP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026342

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9100000000-850cab93c17d62d7ae48
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 1.83 18
  28 2.57 26
  31 4.86 49
  39 8.62 86
  41 2.57 26
  50 2.29 23
  51 6.32 63
  52 1.37 14
  63 3.48 35
  65 17.42 174
  77 4.12 41
  78 3.67 37
  89 1.83 18
  91 99.99 999
  92 61.87 619
  93 4.12 41
  103 1.83 18
  104 1.28 13
  122 21.72 217
  123 1.65 17
//