MassBank Record: MSBNK-Waters-WA002081
ACCESSION: MSBNK-Waters-WA002081
RECORD_TITLE: Maprotiline; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Maprotiline
CH$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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00mo-0920000000-c047e3ab758c081410f4
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
105 24 24
115 208 208
116 24 24
117 161 161
118 12 12
128 98 98
129 43 43
131 39 39
132 12 12
141 125 125
142 12 12
143 12 12
152 16 16
153 16 16
154 16 16
155 16 16
165 278 278
166 43 43
178 623 623
179 161 161
180 16 16
189 114 114
190 149 149
191 999 999
192 145 145
193 35 35
202 63 63
203 262 262
204 282 282
205 67 67
206 12 12
217 43 43
218 27 27
219 98 98
220 12 12
250 12 12
278 27 27
//