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MassBank Record: WA000646

Strychnine; LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: WA000646
RECORD_TITLE: Strychnine; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-000i-0229000000-ede86a2a653d9405448c
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  108 16 16
  122 16 16
  124 12 12
  130 8 8
  144 24 24
  156 16 16
  168 8 8
  182 8 8
  184 125 125
  185 16 16
  186 12 12
  194 16 16
  196 16 16
  198 20 20
  210 12 12
  212 8 8
  220 24 24
  222 59 59
  223 8 8
  234 24 24
  235 8 8
  236 8 8
  238 8 8
  246 12 12
  248 16 16
  250 8 8
  262 27 27
  264 114 114
  265 20 20
  266 12 12
  272 16 16
  274 8 8
  290 16 16
  292 8 8
  306 8 8
  307 27 27
  335 999 999
  336 215 215
  337 20 20
  376 16 16
//

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