ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008251
RECORD_TITLE: 2-(3,4-DIMETOXYPHENYL)ETHYLAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: 2-(3,4-DIMETOXYPHENYL)ETHYLAMINE
CH$NAME: HOMOVERATRYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₅NO₂
CH$EXACT_MASS: 181.11028
CH$SMILES: NCCc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
CH$LINK: CAS 120-20-7
CH$LINK: INCHIKEY ANOUKFYBOAKOIR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8059506

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0ue9-7900000000-120c686cfb57062addf9
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 3.83 38
  27 1.48 15
  28 5.02 50
  29 1.27 13
  30 99.99 999
  31 1.8 18
  39 8.09 81
  41 1.55 16
  42 1.15 12
  43 1.05 11
  50 1.91 19
  51 7.15 72
  52 2.5 25
  63 2.81 28
  64 1.55 16
  65 8.77 88
  66 2.25 23
  67 1.45 15
  77 5.91 59
  78 7.04 70
  79 4.7 47
  80 1.97 20
  81 1.76 18
  89 2.3 23
  90 4.46 45
  91 6.6 66
  92 1.44 14
  93 1.48 15
  94 2.55 26
  105 3.92 39
  106 6.85 69
  107 9.41 94
  108 4.06 41
  109 5.36 54
  118 1 10
  121 3.57 36
  122 2.04 20
  123 2.78 28
  127 1.93 19
  135 2.48 25
  136 1.42 14
  137 15.99 160
  138 1.78 18
  149 1.04 10
  151 42.01 420
  152 84.58 846
  153 8.81 88
  165 2.82 28
  181 15.47 155
  182 3.67 37
//