MassBank Record: MSBNK-Waters-WA002077
ACCESSION: MSBNK-Waters-WA002077
RECORD_TITLE: Desmethylmaprotiline; 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$NAME: Desmethylmaprotiline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H21N
CH$EXACT_MASS: 263.16740
CH$SMILES: NCCCC(C3)(c21)c(c4)c(ccc4)C(C3)c(cccc2)1
CH$IUPAC: InChI=1S/C19H21N/c20-13-5-11-19-12-10-14(15-6-1-3-8-17(15)19)16-7-2-4-9-18(16)19/h1-4,6-9,14H,5,10-13,20H2
CH$LINK: CAS
5721-37-9
CH$LINK: INCHIKEY
IFHUOEQJTQWFGJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80205839
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.460 min
AC$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: splash10-014i-0930000000-7a6635e512d72711affd
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
105 71 71
115 35 35
117 999 999
118 74 74
119 39 39
128 20 20
129 118 118
131 302 302
132 43 43
141 278 278
142 16 16
143 133 133
144 12 12
155 55 55
165 247 247
166 27 27
167 16 16
169 353 353
170 35 35
178 94 94
179 74 74
181 27 27
190 12 12
191 337 337
192 47 47
193 35 35
203 39 39
204 74 74
205 298 298
206 47 47
217 12 12
218 16 16
219 521 521
220 55 55
236 20 20
247 59 59
264 125 125
265 12 12
//
system version 2.2.6-SNAPSHOT