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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004011

PARA-METHOXYPHENOL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004011
RECORD_TITLE: PARA-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$NAME: PARA-METHOXYPHENOL
CH$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

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-00du-9300000000-7365fadaa1b55aee92c0
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  25 2 20
  26 7.5 75
  27 22.9 229
  28 0.43 4
  29 13.2 132
  30 2.9 29
  31 2.5 25
  35 0.25 3
  37 6 60
  38 15.5 155
  39 36.2 362
  40 0.6 6
  41 12.4 124
  42 3.1 31
  43 3 30
  49 0.18 2
  50 10.5 105
  51 16.8 168
  52 13.1 131
  53 3.21 32
  54 4.5 45
  55 11.5 115
  56 1.9 19
  61 0.35 4
  62 8.3 83
  63 14 140
  64 7.8 78
  65 1.94 19
  66 23.7 237
  67 6 60
  68 3.7 37
  69 1.09 11
  73 1.8 18
  74 3.1 31
  75 2 20
  76 0.17 2
  77 10.6 106
  78 7.9 79
  79 5.3 53
  80 0.5 5
  81 39.1 391
  82 3.3 33
  90 2.6 26
  91 0.25 3
  92 3.5 35
  93 5.9 59
  94 60 600
  95 3.54 35
  96 3 30
  105 3 30
  106 2.1 21
  107 0.79 8
  108 6.7 67
  109 8.2 82
  110 2.9 29
  121 0.22 2
  122 2 20
  123 9.1 91
  124 99.99 999
  125 0.83 8
  136 7 70
//

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