ACCESSION: MSBNK-Waters-WA002869
RECORD_TITLE: 2,5-Dimethoxy-4-bromoamphetamine; LC-ESI-Q; MS; POS; 30 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 30 V

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

PK$SPLASH: splash10-0a4i-0090000000-dd138c8d78d02a5c0a7f
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  178 59 59
  179 24 24
  195 16 16
  229 71 71
  231 71 71
  240 404 404
  241 55 55
  242 8 8
  244 12 12
  257 983 983
  258 8 8
  259 999 999
  260 74 74
  274 321 321
  276 341 341
  277 24 24
//