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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004670

P-METHOXYPHENOL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004670
RECORD_TITLE: P-METHOXYPHENOL; EI-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

CH$NAME: P-METHOXYPHENOL
CH$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: CAS 150-76-5
CH$LINK: INCHIKEY NWVVVBRKAWDGAB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020828

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ab9-3900000000-b24cf2309ebe14f7ea37
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  44 4.27 43
  50 2.28 23
  51 3.33 33
  52 4.95 50
  53 14.56 146
  54 5.64 56
  55 1.46 15
  62 2.36 24
  63 2.83 28
  64 1.42 14
  65 4.6 46
  80 1.83 18
  81 31.45 315
  82 3.35 34
  93 1.85 19
  95 2.06 21
  108 5.64 56
  109 99.99 999
  110 6.95 70
  123 3.33 33
  124 95.6 956
  125 6.71 67
//

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