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) \n

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: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 18683-91-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.570 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$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 //