ACCESSION: MSBNK-Waters-WA002868
RECORD_TITLE: 2,5-Dimethoxy-4-bromoamphetamine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-056u-0390000000-dc19f8e899ab46b07d26
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  106 20 20
  108 125 125
  122 43 43
  133 98 98
  135 27 27
  147 8 8
  149 27 27
  150 71 71
  151 27 27
  163 114 114
  164 20 20
  178 999 999
  179 106 106
  180 8 8
  195 12 12
  199 27 27
  201 39 39
  203 12 12
  223 47 47
  227 20 20
  229 784 784
  231 780 780
  232 35 35
  236 8 8
  240 392 392
  242 278 278
  244 231 231
  245 12 12
  257 737 737
  259 776 776
  260 51 51
  274 47 47
  276 47 47
//