ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011303
RECORD_TITLE: 2-(3,4-DIMETHOXYPHENYL)ETHYLAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(3,4-DIMETHOXYPHENYL)ETHYLAMINE
CH$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$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0ue9-8900000000-7b3bb96b7d3241d758d7
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  15 4.45 45
  17 1.76 18
  18 4.28 43
  27 2.79 28
  28 9.43 94
  29 2.05 21
  30 68.53 685
  31 1.58 16
  38 1.99 20
  39 12.23 122
  40 1.61 16
  41 3.17 32
  42 1.88 19
  43 2.98 30
  44 1.15 12
  50 4.55 46
  51 12.4 124
  52 4.93 49
  53 3.05 31
  55 1.43 14
  62 2.25 23
  63 6.61 66
  64 3.59 36
  65 19.29 193
  66 5.18 52
  67 2.76 28
  74 1.13 11
  75 1.11 11
  76 1.45 15
  77 13.33 133
  78 16.32 163
  79 8.09 81
  80 3.84 38
  81 2.88 29
  89 6.3 63
  90 7.82 78
  91 11.4 114
  92 2.83 28
  93 3.27 33
  94 5.67 57
  95 1.99 20
  104 1.21 12
  105 10.24 102
  106 14.9 149
  107 21.64 216
  108 8.42 84
  109 10.1 101
  118 2.41 24
  119 1.36 14
  120 1.07 11
  121 6.28 63
  122 3.48 35
  123 1.33 13
  134 1.35 14
  136 2.44 24
  137 23.17 232
  138 2.45 25
  149 1.43 14
  151 54.6 546
  152 99.99 999
  153 10.12 101
  164 2.83 28
  181 19.62 196
  182 2.45 25
//