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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011788

ORTHO-METHOXYPHENOL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011788
RECORD_TITLE: ORTHO-METHOXYPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-METHOXYPHENOL
CH$NAME: 2-METHOXYPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O2
CH$EXACT_MASS: 124.05243
CH$SMILES: COc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
CH$LINK: INCHIKEY LHGVFZTZFXWLCP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023113

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-05fr-4900000000-c09a31d9523d2eab5598
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 1.4 14
  28 1.63 16
  29 1.07 11
  38 1.27 13
  39 3.14 31
  50 2.96 30
  51 4.24 42
  52 5.25 53
  53 7.9 79
  55 1.72 17
  62 1.85 19
  63 3.74 37
  64 1.48 15
  65 4.07 41
  66 1.02 10
  77 2.6 26
  79 1.18 12
  80 1.62 16
  81 40.43 404
  82 2.48 25
  95 2.02 20
  109 90.36 904
  110 6.33 63
  123 1.4 14
  124 99.99 999
  125 8.22 82
//

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