MassBank Record: MSBNK-Waters-WA001823
ACCESSION: MSBNK-Waters-WA001823
RECORD_TITLE: Aprindine; LC-ESI-Q; MS; POS; 60 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Aprindine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H30N2
CH$EXACT_MASS: 322.24090
CH$SMILES: CCN(CC)CCCN(c(c3)cccc3)C(C1)Cc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3
CH$LINK: CAS
37640-71-4
CH$LINK: INCHIKEY
NZLBHDRPUJLHCE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3022615
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.140 min
AC$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, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0900000000-f5dc96b50a2ddc77fff8
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
102 27 27
104 16 16
105 24 24
106 764 764
107 55 55
114 266 266
115 999 999
116 125 125
117 686 686
118 239 239
119 20 20
130 12 12
132 12 12
134 31 31
152 12 12
165 16 16
178 35 35
193 8 8
222 8 8
323 24 24
//