ACCESSION: MSBNK-RIKEN_NPDepo-CB000078
RECORD_TITLE: physostigmine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Formula(Parent): C15H21N3O2
COMMENT: Bottle Name:Eserine
COMMENT: PRIME Parent Name:Eserine / Physostigmine
COMMENT: PRIME in-house No.:V0352 0226
COMMENT: SubCategory_DNP: Alkaloids derived from tryptophan, Simple tryptamine alkaloids, Indole alkaloids
CH$NAME: Physostigmine
CH$NAME: Physostol
CH$NAME: Antilirium
CH$NAME: Esromiotin
CH$NAME: Ezerin
CH$NAME: Calabarine
CH$NAME: Fysostigmin
CH$NAME: ((3aS,8aR)-1,8,3a-trimethylpyrrolidino(2,3-b)indolin-5-yloxy)-N-methylcarboxamide / Eserine
CH$NAME: Cogmine
CH$NAME: physostigmine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C15H21N3O2
CH$EXACT_MASS: 275.3535
CH$SMILES: CN=C(O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C
CH$IUPAC: InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
CH$LINK: CAS
57-47-6
CH$LINK: CHEMSPIDER
4646 5763 580875
CH$LINK: INCHIKEY
PIJVFDBKTWXHHD-HIFRSBDPSA-N
CH$LINK: COMPTOX
DTXSID3023471
CH$LINK: PUBCHEM
CID:5983
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: splash10-03di-0790000000-b7d9c3d32029ae3ffcb6
PK$NUM_PEAK: 243
PK$PEAK: m/z int. rel.int.
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551.2000 279394.9688 22
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