MassBank Record: MSBNK-Waters-WA001852
ACCESSION: MSBNK-Waters-WA001852
RECORD_TITLE: Ambroxol; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0790000000-143d60824df9e321c2bf
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
103 16 16
104 404 404
105 39 39
116 20 20
156 35 35
158 35 35
182 43 43
183 498 498
184 86 86
185 490 490
186 35 35
237 12 12
262 490 490
264 999 999
265 24 24
266 498 498
267 27 27
//