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MassBank Record: WA001851

Ambroxol; LC-ESI-Q; MS; POS; 90 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001851
RECORD_TITLE: Ambroxol; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Ambroxol
CH$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 90 V

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

PK$SPLASH: splash10-0udi-0910000000-beba17cae70e38ee853e
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  103 43 43
  104 999 999
  105 51 51
  118 12 12
  156 55 55
  158 55 55
  182 82 82
  183 321 321
  184 106 106
  185 302 302
  186 20 20
  262 106 106
  264 212 212
  266 102 102
//

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