ACCESSION: MSBNK-RIKEN_NPDepo-NGA01160
RECORD_TITLE: Strychnine; 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: Formula(Parent): C21H22N2O2
COMMENT: Bottle Name:Strychnine nitrate
COMMENT: PRIME Parent Name:Strychnine
COMMENT: PRIME in-house No.:V0299
COMMENT: SubCategory_DNP: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids

CH$NAME: Strychnin
CH$NAME: strychnidin-10-one
CH$NAME: Certox
CH$NAME: Strychnine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₁H₂₂N₂O₂
CH$EXACT_MASS: 334.4217
CH$SMILES: O=C1CC2OCC=C3CN4CC[C@]56c7ccccc7N1C5[C@H]2[C@H]3C[C@H]46
CH$IUPAC: InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16?,17-,19-,20?,21+/m0/s1
CH$LINK: CAS 57-24-9
CH$LINK: CHEMSPIDER 389877
CH$LINK: INCHIKEY QMGVPVSNSZLJIA-XBPPHNHDSA-N
CH$LINK: PUBCHEM CID:5979

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$SPLASH: splash10-000i-0009000000-ab6e0bea2272f5ebc325
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  334.3 0.74 0
  334.4 2.75 2
  334.5 6.19 6
  334.6 11.06 11
  334.7 19.01 18
  334.8 32.8 32
  334.9 52.61 52
  335.0 74.14 74
  335.1 91.36 91
  335.2 100.0 99
  335.3 97.21 97
  335.4 80.88 80
  335.5 53.26 53
  335.6 23.71 23
  335.7 3.6 3
//