ACCESSION: MSBNK-RIKEN_NPDepo-CB000133
RECORD_TITLE: Macusine B; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Monoterpenoid indole alkaloids, Bisindole alkaloids, Indole alkaloids
CH$NAME: Macusine B
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C20H25N2O+
CH$EXACT_MASS: 309.435
CH$SMILES: C/C=C1/C[N+]2(C)C3CC1C(CO)C2Cc1c3[nH]c2ccccc12
CH$IUPAC: InChI=1S/C20H25N2O/c1-3-12-10-22(2)18-9-15-13-6-4-5-7-17(13)21-20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,21,23H,8-11H2,1-2H3/q+1/b12-3-
CH$LINK: INCHIKEY
KRTATNOTKFNEFT-BASWHVEKSA-N
CH$LINK: PUBCHEM
CID:5934685
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$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$SPLASH: splash10-0a4i-0349000000-4f18ab39611b7c0a26a7
PK$NUM_PEAK: 203
PK$PEAK: m/z int. rel.int.
121.7000 229460.7969 23
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