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MassBank Record: JP007217

M-CRESYL METHYL ETHER; EI-B; MS

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

ACCESSION: JP007217
RECORD_TITLE: M-CRESYL METHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: M-CRESYL METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: COc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
CH$LINK: COMPTOX DTXSID2051500
CH$LINK: INCHIKEY OSIGJGFTADMDOB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7530

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00fu-9400000000-3a418263d092b569868d
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 7.22 72
  26 1.11 11
  27 7.38 74
  29 2.06 21
  37 1.26 13
  38 5 50
  39 22.04 220
  40 1.47 15
  41 1.94 19
  50 8.09 81
  51 16.66 167
  52 9.83 98
  53 9.01 90
  61 1.55 16
  62 4.03 40
  63 9.69 97
  64 2.6 26
  65 11.01 110
  66 1.23 12
  74 1.39 14
  75 1.12 11
  76 1.09 11
  77 43.02 430
  78 13.21 132
  79 32.92 329
  80 1.9 19
  89 3.74 37
  90 2.05 21
  91 47.1 471
  92 21.18 212
  93 5.71 57
  107 17.36 174
  108 1.35 14
  121 11.87 119
  122 99.99 999
  123 8.89 89
//

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