ACCESSION: MSBNK-Waters-WA002866
RECORD_TITLE: 2,5-Dimethoxy-4-bromoamphetamine; 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$NAME: 2,5-Dimethoxy-4-bromoamphetamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆BrNO₂
CH$EXACT_MASS: 273.03644
CH$SMILES: CC(N)Cc(c1)c(OC)cc(Br)c(OC)1
CH$IUPAC: InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
CH$LINK: CAS 32156-26-6
CH$LINK: INCHIKEY FXMWUTGUCAKGQL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5050428

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 12.600 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$SPLASH: splash10-0a70-0920000000-3ae53953777ed6a6fc8c
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  102 8 8
  103 278 278
  105 999 999
  106 317 317
  107 110 110
  108 200 200
  109 16 16
  115 24 24
  116 133 133
  117 86 86
  118 110 110
  119 51 51
  120 443 443
  121 86 86
  122 176 176
  123 12 12
  131 86 86
  132 59 59
  133 176 176
  135 756 756
  136 59 59
  144 12 12
  145 12 12
  146 8 8
  147 153 153
  148 227 227
  149 67 67
  150 86 86
  151 8 8
  157 31 31
  158 8 8
  161 12 12
  163 353 353
  164 27 27
  169 67 67
  171 82 82
  173 16 16
  178 153 153
  179 16 16
  184 12 12
  185 47 47
  186 20 20
  187 47 47
  199 208 208
  201 231 231
  202 12 12
  203 31 31
  223 16 16
  227 341 341
  229 427 427
  230 12 12
  231 86 86
  240 20 20
  242 86 86
  244 82 82
  257 16 16
  259 16 16
  274 16 16
  276 12 12
//