MassBank Record: MSBNK-Waters-WA001853
ACCESSION: MSBNK-Waters-WA001853
RECORD_TITLE: Ambroxol; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0190000000-d3f64074e5f1be637c21
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
104 20 20
105 16 16
116 125 125
183 51 51
184 31 31
185 51 51
186 31 31
262 529 529
264 999 999
265 24 24
266 521 521
267 24 24
//