ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001143
RECORD_TITLE: META-CRESOL METHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: META-CRESOL METHYL ETHER
CH$NAME: METHYL META-TOLYL 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: INCHIKEY OSIGJGFTADMDOB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2051500

AC$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-9100000000-ddc9a8cae4d782dc6ce9
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  15 16.5 165
  16 6.1 61
  17 12.8 128
  18 32.9 329
  26 7.9 79
  27 41.3 413
  28 60.4 604
  29 5.7 57
  30 2.4 24
  31 3 30
  32 12.8 128
  37 9.8 98
  38 21.4 214
  39 81.7 817
  40 6.7 67
  41 9.2 92
  42 2.4 24
  43 3.7 37
  44 4.9 49
  45 2.4 24
  49 3.7 37
  50 20.4 204
  51 36.6 366
  52 23.8 238
  53 19.5 195
  54 2.4 24
  55 3 30
  61 4.3 43
  62 8.5 85
  63 18.9 189
  64 6.7 67
  65 26.2 262
  66 6.7 67
  67 2.4 24
  73 2.4 24
  74 4.3 43
  75 3.7 37
  76 3.7 37
  77 70.7 707
  78 21.4 214
  79 55 550
  80 6.7 67
  81 2.4 24
  89 5.5 55
  90 4.3 43
  91 58.5 585
  92 30.3 303
  93 9.8 98
  94 1.8 18
  105 2.4 24
  106 2.4 24
  107 25 250
  108 8.5 85
  121 15.2 152
  122 99.99 999
  123 9.2 92
//