MassBank Record: MSBNK-Waters-WA001855
ACCESSION: MSBNK-Waters-WA001855
RECORD_TITLE: Ambroxol; 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$NAME: Ambroxol
CH$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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-01t9-0169000000-fb8a2b6d31fbfc698f8a
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
116 329 329
117 12 12
184 43 43
186 35 35
262 360 360
264 705 705
265 24 24
266 353 353
267 20 20
299 12 12
377 494 494
379 999 999
380 71 71
381 501 501
382 55 55
//