ACCESSION: MSBNK-Waters-WA000661
RECORD_TITLE: Nor-LSD; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0a4i-0490000000-ba7da27add67040033ba
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  100 12 12
  128 71 71
  154 24 24
  167 16 16
  168 27 27
  180 43 43
  181 20 20
  182 39 39
  183 153 153
  184 20 20
  192 125 125
  193 47 47
  194 121 121
  195 24 24
  196 8 8
  206 8 8
  207 74 74
  208 55 55
  209 999 999
  210 153 153
  211 12 12
  212 12 12
  213 24 24
  220 8 8
  222 12 12
  223 8 8
  225 8 8
  237 235 235
  238 35 35
  281 20 20
  310 137 137
  311 27 27
  332 8 8
  619 8 8
//