ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002802
RECORD_TITLE: 2,5-DIMETHOXY-ALPHA.4-DIMETHYL-BENZENEETHANAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 2,5-DIMETHOXY-ALPHA.4-DIMETHYL-BENZENEETHANAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₉NO₂
CH$EXACT_MASS: 209.14158
CH$SMILES: COc(c1)c(C)cc(OC)c(CC(C)N)1
CH$IUPAC: InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
CH$LINK: INCHIKEY NTJQREUGJKIARY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50860611

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9100000000-466e6b5613c401a0fa96
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  41 0.4 4
  42 1.2 12
  43 6.1 61
  44 99.99 999
  45 3.1 31
  46 1.4 14
  47 0.2 2
  53 0.04 0
  54 0.2 2
  55 2 20
  56 1.2 12
  57 0.76 8
  58 1.4 14
  59 0.2 2
  65 1.9 19
  66 0.02 0
  67 0.1 1
  68 0.4 4
  69 1.4 14
  70 0.12 1
  71 3.6 36
  72 0.4 4
  75 0.2 2
  76 0.14 1
  77 3.8 38
  78 1.5 15
  79 3.9 39
  80 0.11 1
  81 0.2 2
  82 0.4 4
  83 0.4 4
  84 0.05 1
  85 1.2 12
  86 0.4 4
  87 0.1 1
  90 0.04 0
  91 5.9 59
  92 1.1 11
  93 0.4 4
  94 0.01 0
  135 5.9 59
  136 1.1 11
  137 0.4 4
  151 1.21 12
  152 1.1 11
  153 0.2 2
  165 2.7 27
  166 4.04 40
  167 3.9 39
  168 1.2 12
  169 0.4 4
  175 0.05 1
  176 0.3 3
  177 0.5 5
  178 0.4 4
  179 0.02 0
  192 0.3 3
  193 0.3 3
  194 0.7 7
  208 0.03 0
  209 4.4 44
  210 0.4 4
  211 0.2 2
//