MassBank Record: MSBNK-Waters-WA002922
ACCESSION: MSBNK-Waters-WA002922
RECORD_TITLE: 4-Hydroxypropranolol; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: 4-Hydroxypropranolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H21NO3
CH$EXACT_MASS: 275.15214
CH$SMILES: CC(C)NCC(O)COc(c1)c(c2)c(ccc2)c(O)c1
CH$IUPAC: InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3
CH$LINK: CAS
69499-28-1
CH$LINK: INCHIKEY
CWEPACWBWIOYID-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70893062
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.200 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-016r-0900000000-37c706bd79bc9bed8660
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
100 16 16
102 27 27
103 227 227
105 313 313
106 8 8
115 999 999
116 110 110
117 125 125
118 231 231
119 20 20
126 24 24
127 94 94
128 466 466
129 67 67
130 8 8
131 180 180
132 43 43
133 16 16
134 8 8
136 8 8
141 47 47
142 20 20
143 20 20
144 98 98
145 161 161
146 8 8
152 243 243
153 74 74
155 59 59
156 43 43
157 12 12
159 12 12
160 31 31
161 8 8
168 35 35
169 24 24
171 31 31
172 27 27
173 24 24
184 8 8
192 8 8
276 251 251
277 24 24
290 12 12
//