MassBank Record: WA002083

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Maprotiline; LC-ESI-Q; MS; POS; 60 V
Mass Spectrum
Chemical Structure
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ACCESSION: WA002083
RECORD_TITLE: Maprotiline; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (2007.08.01, 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 //