MassBank Record: MSBNK-Waters-WA002083
ACCESSION: MSBNK-Waters-WA002083
RECORD_TITLE: Maprotiline; 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$NAME: Maprotiline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H23N
CH$EXACT_MASS: 277.18305
CH$SMILES: CNCCCC(C3)(c21)c(c4)c(ccc4)C(C3)c(cccc2)1
CH$IUPAC: InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
CH$LINK: CAS
10262-69-8
CH$LINK: INCHIKEY
QSLMDECMDJKHMQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7045029
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.690 min
AC$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-0980000000-97ded6f30c6e87c33e0c
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
105 39 39
110 31 31
115 20 20
117 627 627
118 47 47
119 27 27
128 12 12
129 71 71
131 184 184
132 24 24
141 176 176
142 12 12
143 94 94
155 39 39
165 231 231
166 31 31
167 16 16
169 235 235
170 24 24
178 243 243
179 114 114
181 16 16
191 548 548
192 74 74
193 137 137
194 16 16
203 31 31
204 67 67
205 223 223
206 35 35
217 16 16
218 12 12
219 999 999
220 157 157
221 20 20
247 55 55
248 12 12
250 866 866
251 145 145
278 259 259
279 47 47
//