ACCESSION: MSBNK-Waters-WA001255
RECORD_TITLE: Lysergide; 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$NAME: Lysergide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₅N₃O
CH$EXACT_MASS: 323.19976
CH$SMILES: CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
CH$IUPAC: InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
CH$LINK: CAS 50-37-3
CH$LINK: INCHIKEY VAYOSLLFUXYJDT-RDTXWAMCSA-N
CH$LINK: COMPTOX DTXSID1023231

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$SPLASH: splash10-00di-0290000000-4b3b4b67186594ae099c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  128 59 59
  154 8 8
  156 12 12
  167 8 8
  168 12 12
  180 125 125
  181 24 24
  182 59 59
  183 8 8
  191 8 8
  192 78 78
  193 24 24
  194 35 35
  195 12 12
  196 12 12
  197 184 184
  198 20 20
  207 47 47
  208 568 568
  209 78 78
  210 20 20
  221 47 47
  222 12 12
  223 999 999
  224 149 149
  225 8 8
  251 39 39
  252 8 8
  281 102 102
  282 20 20
  309 16 16
  324 133 133
  325 27 27
//