ACCESSION: MSBNK-Waters-WA002878
RECORD_TITLE: 2,5-Dimethoxy amphetamine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 2,5-Dimethoxy amphetamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇NO₂
CH$EXACT_MASS: 195.12593
CH$SMILES: COc(c1)cc(CC([H])(C)N)c(OC)c1
CH$IUPAC: InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3/t8-/m0/s1
CH$LINK: CAS 2801-68-5
CH$LINK: INCHIKEY LATVFYDIBMDBSY-QMMMGPOBSA-N
CH$LINK: COMPTOX DTXSID80872984

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 11.200 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-022a-0900000000-90773447f745e3717b03
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  103 35 35
  104 12 12
  105 63 63
  106 27 27
  107 106 106
  108 71 71
  109 39 39
  115 55 55
  116 8 8
  117 35 35
  118 59 59
  119 43 43
  121 999 999
  122 55 55
  123 302 302
  124 35 35
  131 24 24
  132 43 43
  133 51 51
  134 12 12
  135 27 27
  136 35 35
  137 8 8
  138 106 106
  139 125 125
  140 8 8
  147 47 47
  149 823 823
  150 24 24
  151 576 576
  152 35 35
  162 55 55
  164 705 705
  165 47 47
  179 94 94
  180 8 8
  196 47 47
//