MassBank Record: MSBNK-Waters-WA002697
ACCESSION: MSBNK-Waters-WA002697
RECORD_TITLE: Ifenprodil; 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$NAME: Ifenprodil
CH$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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-056r-0309000000-9fb0f0140abba8c69408
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
105 16 16
133 47 47
135 31 31
151 78 78
174 39 39
176 498 498
177 59 59
217 12 12
232 24 24
308 999 999
309 223 223
310 24 24
326 803 803
327 184 184
328 24 24
340 43 43
//
system version 2.2.6-SNAPSHOT