ACCESSION: MSBNK-Waters-WA000659
RECORD_TITLE: Nor-LSD; 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$NAME: Nor-LSD
CH$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 90 V

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

PK$SPLASH: splash10-00kf-0910000000-b6a6cb0900ee8f6481e9
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  115 51 51
  116 8 8
  117 27 27
  127 20 20
  128 43 43
  129 67 67
  130 35 35
  139 31 31
  140 43 43
  141 86 86
  142 20 20
  143 16 16
  144 8 8
  145 12 12
  152 47 47
  153 129 129
  154 219 219
  155 90 90
  156 51 51
  157 8 8
  164 24 24
  165 188 188
  166 82 82
  167 603 603
  168 243 243
  169 47 47
  170 12 12
  172 8 8
  178 16 16
  179 27 27
  180 388 388
  181 180 180
  182 215 215
  183 157 157
  184 31 31
  190 8 8
  191 188 188
  192 317 317
  193 999 999
  194 349 349
  195 55 55
  196 24 24
  197 8 8
  205 16 16
  206 102 102
  207 388 388
  208 145 145
  209 294 294
  210 39 39
  211 16 16
  212 16 16
  219 12 12
  220 8 8
  221 31 31
  222 24 24
  223 8 8
  235 8 8
  236 12 12
  237 27 27
  310 161 161
  311 31 31
  332 8 8
  619 12 12
//