ACCESSION: MSBNK-Waters-WA001854
RECORD_TITLE: Ambroxol; 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$NAME: Ambroxol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈Br₂N₂O
CH$EXACT_MASS: 375.97859
CH$SMILES: OC(C2)CCC(C2)NCc(c1)c(N)c(Br)cc(Br)1
CH$IUPAC: InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-
CH$LINK: CAS 18683-91-5
CH$LINK: INCHIKEY JBDGDEWWOUBZPM-XYPYZODXSA-N
CH$LINK: COMPTOX DTXSID8022583

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 12.570 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$SPLASH: splash10-03xr-0290000000-625bb8e1f0771eddb9b7
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  114 16 16
  116 372 372
  117 12 12
  184 27 27
  186 27 27
  262 486 486
  264 999 999
  265 31 31
  266 501 501
  267 20 20
  377 35 35
  379 71 71
  381 39 39
//