MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003801

4-BUTOXYPHENOL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003801
RECORD_TITLE: 4-BUTOXYPHENOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: 4-BUTOXYPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₂
CH$EXACT_MASS: 166.09938
CH$SMILES: CCCCOc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
CH$LINK: INCHIKEY MBGGFXOXUIDRJD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059548

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AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-02t9-0900000000-0015f37746b00e7ee313
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  63 0.78 8
  67 0.22 2
  73 4.79 48
  81 1.62 16
  82 0.57 6
  108 1.37 14
  109 15.55 156
  110 99.99 999
  111 6.36 64
  112 0.51 5
  122 1.27 13
  137 0.26 3
  139 0.14 1
  151 2.16 22
  153 0.22 2
  165 1.15 12
  166 29.42 294
  167 79.19 792
  168 7.83 78
  169 0.69 7
//