ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004021
RECORD_TITLE: PARA-METHYLANISOLE; 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$NAME: PARA-METHYLANISOLE
CH$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$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-00fr-9500000000-6cd98b3f34e125094a60
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  14 4.1 41
  15 30.2 302
  18 1 10
  26 0.6 6
  27 15 150
  28 4 40
  29 7 70
  30 0.11 1
  37 2 20
  38 5.9 59
  39 22.5 225
  40 0.13 1
  41 3.5 35
  43 2 20
  44 1.1 11
  49 0.1 1
  50 15 150
  51 26.2 262
  52 14.1 141
  53 1.39 14
  55 1.3 13
  61 3.2 32
  62 5 50
  63 1.18 12
  64 3.1 31
  65 11.5 115
  66 1.7 17
  74 0.19 2
  75 4.1 41
  76 1 10
  77 52.2 522
  78 1.91 19
  79 37.2 372
  80 3 30
  89 4 40
  90 0.31 3
  91 26.2 262
  92 9 90
  93 2.2 22
  106 0.13 1
  107 37 370
  121 59.1 591
  122 99.99 999
  123 10 100
//