ACCESSION: MSBNK-Waters-WA000660
RECORD_TITLE: Nor-LSD; 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$NAME: Nor-LSD
CH$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 75 V

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

PK$SPLASH: splash10-0a4l-0950000000-6b324f02163bbcdeeb55
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  100 8 8
  115 8 8
  117 8 8
  128 51 51
  129 16 16
  130 12 12
  141 12 12
  142 12 12
  143 8 8
  153 24 24
  154 110 110
  155 27 27
  156 24 24
  165 71 71
  166 16 16
  167 200 200
  168 153 153
  169 24 24
  170 12 12
  180 215 215
  181 110 110
  182 215 215
  183 219 219
  184 35 35
  191 63 63
  192 400 400
  193 443 443
  194 415 415
  195 63 63
  196 27 27
  206 31 31
  207 306 306
  208 153 153
  209 999 999
  210 133 133
  211 20 20
  212 20 20
  213 20 20
  219 12 12
  220 16 16
  221 16 16
  222 31 31
  223 12 12
  225 8 8
  236 12 12
  237 118 118
  238 20 20
  281 8 8
  310 106 106
  311 24 24
  332 8 8
  619 12 12
//