MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010825

4-METHOXYPHENOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010825
RECORD_TITLE: 4-METHOXYPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

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CH$NAME: 4-METHOXYPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O₂
CH$EXACT_MASS: 124.05243
CH$SMILES: COc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
CH$LINK: INCHIKEY NWVVVBRKAWDGAB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020828

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0ab9-3900000000-b406ffca43dc64f80356
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  42 2.12 21
  50 2.59 26
  51 3.48 35
  52 4.22 42
  53 12.6 126
  54 4.42 44
  55 3.04 30
  61 1.21 12
  62 2.78 28
  63 3.65 37
  64 1.53 15
  65 4.65 47
  66 1.03 10
  80 1.4 14
  81 32.62 326
  82 2.32 23
  93 1.86 19
  95 1.75 18
  108 1.72 17
  109 99.99 999
  110 6.68 67
  123 2.42 24
  124 99.95 1000
  125 7.98 80
//