MassBank Record: MSBNK-Waters-WA001899
ACCESSION: MSBNK-Waters-WA001899
RECORD_TITLE: Nadolol; 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$NAME: Nadolol
CH$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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00kb-0900000000-88a7c2ef765d8cc137c3
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
103 67 67
105 133 133
107 204 204
108 8 8
115 454 454
116 35 35
117 521 521
118 35 35
119 157 157
120 12 12
121 8 8
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174 20 20
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186 16 16
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218 12 12
236 102 102
237 8 8
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255 16 16
310 415 415
311 47 47
332 55 55
348 12 12
//