ACCESSION: MSBNK-Waters-WA002867
RECORD_TITLE: 2,5-Dimethoxy-4-bromoamphetamine; 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$NAME: 2,5-Dimethoxy-4-bromoamphetamine
CH$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 60 V

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

PK$SPLASH: splash10-004i-0960000000-75b78fe316bc95ae9c96
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  103 35 35
  105 196 196
  106 274 274
  107 27 27
  108 407 407
  109 16 16
  116 67 67
  117 31 31
  118 16 16
  119 8 8
  120 82 82
  121 31 31
  122 329 329
  123 12 12
  131 31 31
  132 12 12
  133 266 266
  135 541 541
  136 47 47
  137 8 8
  146 16 16
  147 121 121
  148 78 78
  149 129 129
  150 247 247
  151 20 20
  157 16 16
  163 768 768
  164 82 82
  165 8 8
  169 31 31
  171 39 39
  177 8 8
  178 999 999
  179 90 90
  185 8 8
  186 8 8
  187 12 12
  194 12 12
  199 266 266
  201 333 333
  202 24 24
  203 63 63
  208 12 12
  216 8 8
  217 16 16
  218 12 12
  219 8 8
  223 82 82
  224 8 8
  227 325 325
  229 932 932
  230 35 35
  231 615 615
  232 31 31
  240 161 161
  242 396 396
  244 384 384
  245 27 27
  257 118 118
  259 121 121
  260 8 8
  274 16 16
  276 20 20
//