ACCESSION: MSBNK-RIKEN_NPDepo-CB000068
RECORD_TITLE: Strychnine; LC-ESI-QQQ; MS; [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$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0019-0009000000-47715b8db89dfa3c6a17
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  100.6000 318706.9375 39
  100.7000 277993.5000 34
  100.8000 309311.5313 38
  100.9000 482665.9688 60
  101.0000 358683.5313 44
  101.1000 238569.6719 29
  101.2000 314285.5313 38
  101.3000 322022.9375 39
  101.4000 274493.2813 33
  118.8000 364394.4375 45
  118.9000 425740.9688 52
  119.0000 564461.3750 70
  119.1000 417082.3438 51
  119.2000 292915.6250 36
  119.3000 198777.3125 24
  119.4000 199145.7813 24
  148.7000 176854.6875 21
  148.8000 324786.3125 40
  334.3000 3008188.2500 379
  334.4000 4877138.0000 616
  334.5000 5277456.0000 666
  334.6000 5749068.5000 726
  334.7000 5798440.5000 732
  334.8000 5717566.0000 722
  334.9000 5900868.5000 745
  335.0000 5650693.0000 713
  335.1000 5956504.0000 752
  335.2000 6017297.5000 760
  335.3000 7904117.0000 999
  335.4000 4896849.5000 618
  335.5000 2551866.5000 321
  335.6000 2125572.7500 267
  335.7000 1910952.1250 240
  335.8000 1809445.1250 227
  335.9000 2070305.6250 260
  336.0000 1768363.0000 222
  336.1000 1927348.1250 242
  336.2000 1958850.1250 246
  336.3000 1731150.1250 218
  336.4000 1456288.2500 183
  336.5000 638150.8750 79
  336.6000 569988.0625 71
  336.7000 431451.8438 53
  336.8000 312811.8125 38
  336.9000 291441.8750 35
  337.0000 451716.4063 56
  337.1000 411187.2188 51
  337.2000 277256.6563 34
  337.3000 214067.9063 26
  337.4000 214989.0469 26
  337.8000 405476.3125 50
//