MassBank Record: MSBNK-Waters-WA002696
ACCESSION: MSBNK-Waters-WA002696
RECORD_TITLE: Ifenprodil; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Ifenprodil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H27NO2
CH$EXACT_MASS: 325.20418
CH$SMILES: Oc(c3)ccc(c3)C(O)C(C)N(C2)CCC(C2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
CH$LINK: CAS
23210-56-2
CH$LINK: INCHIKEY
UYNVMODNBIQBMV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2045656
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.050 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a6r-0905000000-190958348ec235564a9a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
105 255 255
107 219 219
109 106 106
117 145 145
121 12 12
129 12 12
131 43 43
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134 20 20
135 204 204
136 12 12
150 12 12
151 106 106
174 168 168
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177 118 118
202 12 12
217 20 20
232 16 16
293 67 67
294 16 16
308 999 999
309 223 223
310 24 24
326 153 153
327 31 31
340 31 31
//
system version 2.2.6-SNAPSHOT