MassBank Record: JP003858

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

ACCESSION: JP003858
RECORD_TITLE: NORTRIPTYLINE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: NORTRIPTYLINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H21N CH$EXACT_MASS: 263.16740 CH$SMILES: CNCCC=C(c21)c(c3)c(ccc3)CCc(cccc2)1 CH$IUPAC: InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 CH$LINK: INCHIKEY PHVGLTMQBUFIQQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9023384
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$SPLASH: splash10-0006-9000000000-bb9eae4818c0402317ee PK$NUM_PEAK: 72 PK$PEAK: m/z int. rel.int. 38 1.4 14 39 2.4 24 40 1.4 14 41 0.64 6 42 3.9 39 43 12.4 124 44 99.99 999 45 0.49 5 51 1.9 19 52 0.9 9 53 1.9 19 54 0.14 1 55 5.4 54 56 4.4 44 57 13.4 134 58 0.29 3 60 1.4 14 67 1.9 19 68 1.4 14 69 0.34 3 70 3.9 39 71 6.9 69 72 1.4 14 73 0.19 2 80 0.9 9 81 1.9 19 82 1.9 19 83 0.29 3 84 2.4 24 85 3.9 39 90 0.9 9 91 0.39 4 92 0.9 9 95 0.9 9 96 1.9 19 97 0.29 3 98 2.4 24 99 1.9 19 104 0.9 9 105 0.34 3 106 0.9 9 152 1.9 19 153 0.9 9 164 0.04 0 165 1.9 19 166 0.4 4 177 0.9 9 178 0.21 2 179 0.9 9 187 0.4 4 188 1.9 19 189 0.14 1 190 1.9 19 191 0.9 9 192 0.9 9 198 0.19 2 199 0.9 9 200 0.4 4 201 2.9 29 202 0.34 3 203 1.9 19 204 1.9 19 205 0.9 9 215 0.24 2 216 1.4 14 217 1.9 19 218 1.6 16 219 0.21 2 220 2.9 29 221 0.9 9 263 2.4 24 264 0.4 4 //