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MassBank Record: WA001854

Ambroxol; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: 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
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  262 486 486
  264 999 999
  265 31 31
  266 501 501
  267 20 20
  377 35 35
  379 71 71
  381 39 39
//

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