MassBank Record: JP003854



 AMITRIPTYLINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003854
RECORD_TITLE: AMITRIPTYLINE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: AMITRIPTYLINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H23N CH$EXACT_MASS: 277.18305 CH$SMILES: CN(C)CCC=C(c21)c(c3)c(ccc3)CCc(cccc2)1 CH$IUPAC: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 CH$LINK: INCHIKEY KRMDCWKBEZIMAB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022594
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9010000000-2afae55587735e5a8ce1 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 56 1.4 14 57 1.4 14 58 99.99 999 59 0.54 5 91 2.4 24 115 1.4 14 128 1.4 14 141 0.09 1 152 0.9 9 165 1.1 11 178 1.7 17 179 0.09 1 189 1.4 14 191 1.1 11 192 0.9 9 193 0.09 1 194 0.4 4 202 3.1 31 203 2.4 24 204 0.16 2 205 1.1 11 206 0.9 9 207 0.9 9 215 0.24 2 216 1.1 11 217 1.9 19 218 2.1 21 219 0.16 2 220 0.9 9 //

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