MassBank Record: MSBNK-Waters-WA001901
ACCESSION: MSBNK-Waters-WA001901
RECORD_TITLE: Nadolol; 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$NAME: Nadolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H27NO4
CH$EXACT_MASS: 309.19401
CH$SMILES: OC(CNC(C)(C)C)COc(c2)c(C1)c(cc2)CC(O)C(O)1
CH$IUPAC: InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
CH$LINK: CAS
42200-33-9
CH$LINK: INCHIKEY
VWPOSFSPZNDTMJ-UCWKZMIHSA-N
CH$LINK: COMPTOX
DTXSID3023342
AC$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$CHROMATOGRAPHY: RETENTION_TIME 10.600 min
AC$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: splash10-0udi-0192000000-1596fead69ca4b2d9cc8
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
133 8 8
145 43 43
147 8 8
155 8 8
157 16 16
159 24 24
171 59 59
172 8 8
173 20 20
175 20 20
183 63 63
184 8 8
189 8 8
201 411 411
202 51 51
218 39 39
219 27 27
236 419 419
237 55 55
254 999 999
255 129 129
256 12 12
310 490 490
311 78 78
312 8 8
332 35 35
333 8 8
//