MassBank Record: MSBNK-Waters-WA002735
ACCESSION: MSBNK-Waters-WA002735
RECORD_TITLE: Fenpiverinium; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Fenpiverinium
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H29N2O+
CH$EXACT_MASS: 337.22799
CH$SMILES: C(C3)CC[N+1](C)(C3)CCC(C(N)=O)(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C22H28N2O/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25)/p+1
CH$LINK: INCHIKEY
QDIYJDPBMZUZEH-UHFFFAOYSA-O
CH$LINK: CAS
258329-46-3
CH$LINK: PUBCHEM
CID:71490
CH$LINK: COMPTOX
DTXSID7048376
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 12.800 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$SPLASH: splash10-00lr-0910000000-1efe24339c0a2170664a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
100 153 153
104 423 423
105 55 55
106 20 20
115 294 294
116 20 20
117 744 744
118 63 63
120 55 55
132 349 349
133 31 31
165 47 47
166 12 12
167 55 55
178 27 27
180 12 12
182 999 999
183 149 149
184 12 12
193 31 31
195 24 24
208 16 16
210 243 243
211 39 39
220 12 12
238 192 192
239 31 31
//