ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001145
RECORD_TITLE: PARA-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$NAME: PARA-CRESOL METHYL ETHER
CH$NAME: METHYL PARA-TOLYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: COc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
CH$LINK: INCHIKEY CHLICZRVGGXEOD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026710

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$SPLASH: splash10-00b9-9200000000-ee4dedd83fa13835a843
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  15 18.5 185
  16 3.1 31
  17 10.3 103
  18 26.7 267
  25 3.1 31
  26 13.3 133
  27 56.4 564
  28 18.5 185
  29 5.6 56
  30 2.6 26
  31 2 20
  32 4.6 46
  37 7.7 77
  38 15.4 154
  39 52.3 523
  40 5.1 51
  41 9.2 92
  42 3.1 31
  43 4.6 46
  49 4.6 46
  50 23.6 236
  51 42.1 421
  52 25.2 252
  53 19 190
  54 2.6 26
  55 3.1 31
  57 2 20
  59 3.1 31
  61 5.1 51
  62 8.7 87
  63 16.9 169
  64 5.1 51
  65 19.5 195
  66 2.6 26
  67 2 20
  74 4.1 41
  75 3.1 31
  76 2.6 26
  77 78.4 784
  78 24.1 241
  79 51.8 518
  80 4.6 46
  81 2 20
  89 4.6 46
  90 4.6 46
  91 30.2 302
  92 13.3 133
  93 4.6 46
  94 2 20
  105 2.6 26
  106 2.6 26
  107 40.6 406
  108 10.8 108
  109 2.6 26
  120 2 20
  121 37.4 374
  122 99.99 999
  123 10.8 108
//