ACCESSION: MSBNK-Waters-WA000645
RECORD_TITLE: Strychnine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Strychnine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₂N₂O₂
CH$EXACT_MASS: 334.16813
CH$SMILES: c(c7)cc(c(c7)1)N(C(=O)6)C([H])(C([H])45)C(C2)1C(C3)N(CC(=CCOC([H])(C6)5)C34)C2
CH$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: INCHIKEY QMGVPVSNSZLJIA-FVWCLLPLSA-N
CH$LINK: COMPTOX DTXSID6023600

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 10.830 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0019-0975000000-d16e418affccc3fd2bb2
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
  105 20 20
  106 47 47
  107 12 12
  108 78 78
  109 20 20
  117 12 12
  118 24 24
  119 16 16
  120 12 12
  121 27 27
  122 63 63
  123 8 8
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  130 39 39
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  132 20 20
  134 8 8
  136 8 8
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  145 16 16
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  171 24 24
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  181 12 12
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  197 12 12
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  205 12 12
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  335 999 999
  336 192 192
  337 20 20
  376 16 16
//