ACCESSION: MSBNK-RIKEN_NPDepo-CB000070
RECORD_TITLE: alpha-Dihydrolysergol; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: SubCategory_DNP: : Alkaloids derived from tryptophan, Ergot alkaloids, Clavine alkaloid

CH$NAME: alpha-Dihydrolysergol
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₆H₂₀N₂O
CH$EXACT_MASS: 256.3506
CH$SMILES: CN1C[C@H](CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
CH$IUPAC: InChI=1S/C16H20N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-4,7,10,13,15,17,19H,5-6,8-9H2,1H3/t10-,13-,15-/m1/s1
CH$LINK: CAS 18051-16-6
CH$LINK: CHEMSPIDER 4438476
CH$LINK: INCHIKEY UFKTZIXVYHGAES-WDBKCZKBSA-N
CH$LINK: COMPTOX DTXSID20939343
CH$LINK: PUBCHEM CID:5274124

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-0090000000-3041fe30b67d8ea33a26
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
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//