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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004025

PARA-METHYLPHENETOLE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004025
RECORD_TITLE: PARA-METHYLPHENETOLE; 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$NAME: PARA-METHYLPHENETOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O
CH$EXACT_MASS: 136.08882
CH$SMILES: CCOc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H12O/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY WSWPHHNIHLTAHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060756

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$SPLASH: splash10-0a6r-9700000000-691ea572acc526dd1b87
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  26 6.5 65
  27 28.1 281
  28 3 30
  29 0.11 1
  39 11.6 116
  40 1.2 12
  42 2.1 21
  44 0.14 1
  50 6 60
  51 12.5 125
  52 7.9 79
  53 0.79 8
  55 1 10
  62 2 20
  63 5.2 52
  64 0.09 1
  65 8.2 82
  66 1 10
  75 0.8 8
  76 0.09 1
  77 23.1 231
  78 8.5 85
  79 14.2 142
  80 0.84 8
  81 1.3 13
  89 1.5 15
  90 8.5 85
  91 0.81 8
  92 1.9 19
  93 1.7 17
  106 5.5 55
  107 9.27 93
  108 99.99 999
  109 7.1 71
  121 1.2 12
  136 4.8 48
  137 4 40
//

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