MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009548

1-PHENYL-2-PROPANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009548
RECORD_TITLE: 1-PHENYL-2-PROPANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

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CH$NAME: 1-PHENYL-2-PROPANOL
CH$NAME: BENZYLMETHYLCARBINOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O
CH$EXACT_MASS: 136.08882
CH$SMILES: CC(O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
CH$LINK: CAS 14898-87-4
CH$LINK: INCHIKEY WYTRYIUQUDTGSX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70862379

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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 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-af804ab6e867dc4f66d3
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 1.19 12
  29 1.1 11
  39 2.65 27
  43 3.55 36
  45 17.99 180
  51 1.69 17
  63 1.86 19
  65 6.73 67
  77 1.97 20
  89 1.42 14
  90 1.28 13
  91 49.75 498
  92 99.99 999
  93 8.21 82
  103 2.28 23
  117 1.07 11
  121 2.26 23
  136 3.68 37
//