MassBank Record: NGA01175

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Nor-C-fluorocurarine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+

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

ACCESSION: NGA01175
RECORD_TITLE: Nor-C-fluorocurarine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-0006-0090000000-fae816b3cf1621509d96
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  292.3 0.7 0
  292.4 2.21 2
  292.5 4.91 4
  292.6 9.06 9
  292.7 16.56 16
  292.8 30.53 30
  292.9 51.56 51
  293.0 74.77 74
  293.1 92.58 92
  293.2 100.0 99
  293.3 95.44 95
  293.4 78.44 78
  293.5 51.4 51
  293.6 22.76 22
  293.7 3.04 3
//