ACCESSION: MSBNK-Waters-WA001256
RECORD_TITLE: Lysergide; 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$NAME: Lysergide
CH$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 45 V

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

PK$SPLASH: splash10-00di-0189000000-ff611eebfa2422c9e724
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  128 31 31
  180 20 20
  192 24 24
  197 133 133
  198 16 16
  208 118 118
  209 16 16
  210 8 8
  223 595 595
  224 86 86
  251 55 55
  252 8 8
  281 196 196
  282 35 35
  293 8 8
  309 16 16
  324 999 999
  325 204 204
  326 16 16
//