ACCESSION: MSBNK-Waters-WA002879
RECORD_TITLE: 2,5-Dimethoxy amphetamine; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

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

PK$SPLASH: splash10-05fs-0900000000-aebec89c3697be9ff5a5
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  103 227 227
  104 35 35
  105 235 235
  106 74 74
  107 325 325
  108 102 102
  109 74 74
  115 149 149
  116 27 27
  117 20 20
  118 270 270
  119 35 35
  121 999 999
  122 59 59
  123 200 200
  124 31 31
  131 82 82
  132 55 55
  133 71 71
  134 20 20
  135 31 31
  136 31 31
  137 20 20
  138 27 27
  139 31 31
  144 8 8
  147 47 47
  149 760 760
  150 51 51
  151 102 102
  162 12 12
  163 16 16
  164 180 180
  165 8 8
  179 39 39
  196 43 43
//