MassBank Record: MSBNK-Waters-WA002082
ACCESSION: MSBNK-Waters-WA002082
RECORD_TITLE: Maprotiline; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00mo-0930000000-6d7100ae31db7d486c01
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
105 39 39
110 16 16
115 102 102
117 376 376
118 31 31
119 12 12
128 59 59
129 63 63
131 121 121
132 20 20
141 180 180
142 16 16
143 43 43
154 20 20
155 27 27
165 259 259
166 35 35
167 16 16
169 63 63
178 533 533
179 165 165
180 20 20
189 16 16
190 39 39
191 999 999
192 141 141
193 102 102
194 12 12
202 20 20
203 102 102
204 251 251
205 145 145
206 24 24
217 35 35
218 24 24
219 501 501
220 78 78
250 121 121
251 16 16
278 47 47
//