ACCESSION: MSBNK-RIKEN_NPDepo-NGA01173
RECORD_TITLE: Nor-C-fluorocurarine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
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: 292.3841
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$SPLASH: splash10-0006-0090000000-3aef04e0332ffaae6f13
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  292.3 0.55 0
  292.4 2.11 2
  292.5 5.14 5
  292.6 10.31 10
  292.7 19.31 19
  292.8 34.35 34
  292.9 55.16 55
  293.0 76.96 76
  293.1 93.14 93
  293.2 100.0 99
  293.3 96.71 96
  293.4 82.19 82
  293.5 56.88 56
  293.6 27.72 27
  293.7 5.73 5
  293.8 0.0 0
//