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MassBank Record: WA001254

Lysergide; LC-ESI-Q; MS; POS; 75 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001254
RECORD_TITLE: Lysergide; 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$NAME: Lysergide
CH$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 75 V

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

PK$SPLASH: splash10-0a4i-0690000000-ab3b22bf837e809cb7e3
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  128 59 59
  129 12 12
  153 51 51
  154 47 47
  155 8 8
  156 24 24
  165 20 20
  167 86 86
  168 51 51
  169 8 8
  179 8 8
  180 384 384
  181 118 118
  182 215 215
  183 31 31
  190 27 27
  191 94 94
  192 208 208
  193 106 106
  194 102 102
  195 51 51
  196 59 59
  197 168 168
  198 20 20
  206 12 12
  207 533 533
  208 999 999
  209 137 137
  210 24 24
  220 16 16
  221 133 133
  222 31 31
  223 670 670
  224 98 98
  236 8 8
  251 12 12
  281 20 20
  324 20 20
//

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