MassBank Record: NGA01174

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Nor-C-fluorocurarine; 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: NGA01174
RECORD_TITLE: Nor-C-fluorocurarine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Monoterpenoid indole alkaloids, Bisindole alkaloids, Indole alkaloids, Curare alkaloids

CH$NAME: Nor-C-fluorocurarine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C19H20N2O
CH$EXACT_MASS: 292.384099999999989449861459434032440185546875
CH$SMILES: C/C=C1/CN2CCC34C(=C(C=O)[C@H]1CC23)Nc1ccccc14
CH$IUPAC: InChI=1S/C19H20N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h2-6,11,13,17,20H,7-10H2,1H3/b12-2-/t13-,17?,19?/m0/s1
CH$LINK: CAS 6880-54-2
CH$LINK: CHEMSPIDER 4615646
CH$LINK: INCHIKEY VFUITWPFKLGEQA-IJEMKVKBSA-N

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$SPLASH: splash10-0006-0090000000-2f50b828def6b535f36a
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  292.4 2.09 2
  292.5 4.27 4
  292.6 7.81 7
  292.7 14.62 14
  292.8 28.02 27
  292.9 49.22 49
  293.0 73.51 73
  293.1 92.34 92
  293.2 100.0 99
  293.3 95.75 95
  293.4 80.2 80
  293.5 54.88 54
  293.6 26.46 26
  293.7 5.24 5
  293.8 0.0 0
//