ACCESSION: MSBNK-Waters-WA000662
RECORD_TITLE: Nor-LSD; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Nor-LSD
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₃N₃O
CH$EXACT_MASS: 309.18411
CH$SMILES: CCN(CC)C(=O)[C@H]1CN[C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1
CH$IUPAC: InChI=1S/C19H23N3O/c1-3-22(4-2)19(23)13-8-15-14-6-5-7-16-18(14)12(10-20-16)9-17(15)21-11-13/h5-8,10,13,17,20-21H,3-4,9,11H2,1-2H3/t13-,17-/m1/s1
CH$LINK: CAS 35779-43-2
CH$LINK: INCHIKEY SUXLVXOMPKZBOV-CXAGYDPISA-N
CH$LINK: COMPTOX DTXSID80189307

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 12.600 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 45 V

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

PK$SPLASH: splash10-08fr-0297000000-174ee93f7973e86821b8
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  100 16 16
  128 71 71
  168 8 8
  180 8 8
  183 172 172
  184 16 16
  192 31 31
  194 8 8
  195 8 8
  207 8 8
  208 12 12
  209 862 862
  210 110 110
  211 8 8
  212 8 8
  213 16 16
  237 349 349
  238 51 51
  281 43 43
  282 8 8
  293 8 8
  310 999 999
  311 204 204
  312 24 24
  313 8 8
  314 20 20
  332 12 12
  619 12 12
//