MassBank Record: MSBNK-Waters-WA002413
ACCESSION: MSBNK-Waters-WA002413
RECORD_TITLE: Zipeprol; 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$NAME: Zipeprol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H32N2O3
CH$EXACT_MASS: 384.24129
CH$SMILES: COC(CN(C3)CCN(C3)CC(O)C(OC)c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3
CH$LINK: CAS
34758-83-3
CH$LINK: INCHIKEY
VSTNNAYSCJQCQI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00865732
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.590 min
AC$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: splash10-0fk9-0920000000-1b59f090ee330ab276a9
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
103 67 67
105 404 404
106 24 24
110 16 16
111 90 90
113 27 27
115 27 27
117 98 98
118 16 16
119 16 16
121 999 999
122 67 67
129 27 27
130 20 20
131 31 31
132 20 20
133 24 24
135 94 94
144 43 43
146 43 43
147 12 12
158 67 67
160 94 94
161 12 12
172 12 12
173 20 20
176 16 16
186 31 31
187 20 20
188 39 39
189 12 12
201 513 513
202 78 78
203 12 12
233 133 133
234 16 16
248 27 27
385 20 20
//
system version 2.2.8-SNAPSHOT