MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012053

1-(3-METHOXY-2-PHENYLMETHOXYPHENYL)ETHANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012053
RECORD_TITLE: 1-(3-METHOXY-2-PHENYLMETHOXYPHENYL)ETHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 1-(3-METHOXY-2-PHENYLMETHOXYPHENYL)ETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₈O₃
CH$EXACT_MASS: 258.12559
CH$SMILES: COc(c1)c(OCc(c2)cccc2)c(cc1)C(C)O
CH$IUPAC: InChI=1S/C16H18O3/c1-12(17)14-9-6-10-15(18-2)16(14)19-11-13-7-4-3-5-8-13/h3-10,12,17H,11H2,1-2H3
CH$LINK: INCHIKEY RKXGFCPLKBJWJA-UHFFFAOYSA-N

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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$SPLASH: splash10-0udl-6900000000-568121451996e5571ffa
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  43 8.61 86
  65 2.16 22
  79 1.04 10
  91 77.81 778
  92 6.25 63
  107 4.85 49
  120 1.24 12
  121 1.96 20
  131 1.5 15
  135 4.73 47
  136 1.2 12
  137 1.4 14
  150 99.99 999
  151 13.42 134
  152 2.18 22
  166 1.33 13
  214 1.75 18
  258 3.02 30
  259 0.59 6
//