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MassBank Record: MSBNK-RIKEN_NPDepo-NGA02570

Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_NPDepo-NGA02570
RECORD_TITLE: Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids

CH$NAME: Cinchonidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C19H22N2O
CH$EXACT_MASS: 294.4
CH$SMILES: C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O
CH$IUPAC: InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1
CH$LINK: CAS 485-71-2
CH$LINK: CHEMSPIDER 91930
CH$LINK: INCHIKEY KMPWYEUPVWOPIM-KODHJQJWSA-N
CH$LINK: PUBCHEM CID:101744

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-0090000000-b05a1d37be25ebeb7ccf
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  294.3 0.51 0
  294.4 1.99 1
  294.5 5.36 5
  294.6 11.48 11
  294.7 21.63 21
  294.8 36.78 36
  294.9 56.16 56
  295.0 76.27 76
  295.1 92.17 92
  295.2 100.0 99
  295.3 97.35 97
  295.4 82.33 82
  295.5 56.1 56
  295.6 26.58 26
  295.7 5.02 5
  295.8 0.0 0
//

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