ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003740
RECORD_TITLE: LYSERGIC ACID ETHYLAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: LYSERGIC ACID ETHYLAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₁N₃O
CH$EXACT_MASS: 295.16846
CH$SMILES: CCNC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
CH$IUPAC: InChI=1S/C18H21N3O/c1-3-19-18(22)12-7-14-13-5-4-6-15-17(13)11(9-20-15)8-16(14)21(2)10-12/h4-7,9,12,16,20H,3,8,10H2,1-2H3,(H,19,22)/t12-,16-/m1/s1
CH$LINK: INCHIKEY VEBWTGYUIBTVNR-MLGOLLRUSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-007k-0690000000-0efcbd36f1d606409f7e
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  55 4 40
  56 3 30
  57 7 70
  58 0.1 1
  77 3 30
  78 1 10
  89 3 30
  90 0.02 0
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  111 2 20
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  223 32 320
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  253 0.02 0
  295 99.99 999
  296 19 190
  297 2 20
//