MassBank Record: MSBNK-Waters-WA002034
ACCESSION: MSBNK-Waters-WA002034
RECORD_TITLE: Quinupramine; 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$NAME: Quinupramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H24N2
CH$EXACT_MASS: 304.19395
CH$SMILES: c(c5)cc(C3)c(c5)N(c(c4)c(ccc4)C3)C(C1)C(C2)CCN(C2)1
CH$IUPAC: InChI=1S/C21H24N2/c1-3-7-19-16(5-1)9-10-17-6-2-4-8-20(17)23(19)21-15-22-13-11-18(21)12-14-22/h1-8,18,21H,9-15H2
CH$LINK: CAS
31721-17-2
CH$LINK: INCHIKEY
JCBQCKFFSPGEDY-UHFFFAOYSA-N
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 14.510 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$SPLASH: splash10-0a4i-0209000000-de1aac9a9a0ce0a79eef
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
110 309 309
111 20 20
125 16 16
208 63 63
220 16 16
288 24 24
303 24 24
305 999 999
306 243 243
307 24 24
//