ACCESSION: MSBNK-RIKEN_NPDepo-CB000312
RECORD_TITLE: Amorphin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Pyrans

CH$NAME: Amorphin
CH$COMPOUND_CLASS: Flavonoids
CH$FORMULA: C₃₄H₄₀O₁₆
CH$EXACT_MASS: 704.6883
CH$SMILES: C=C(CO[C@@H]1O[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1
CH$IUPAC: InChI=1S/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19-,23?,24-,25?,27-,28+,29-,30+,31+,33-,34+/m0/s1
CH$LINK: CAS 4207-90-3
CH$LINK: CHEMSPIDER 109463
CH$LINK: INCHIKEY CMQOKNQYLSMKJC-ZIYIFGDVSA-N
CH$LINK: PUBCHEM CID:23010499

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$SPLASH: splash10-0zfr-0100320900-ac56a8b287273deaea67
PK$NUM_PEAK: 171
PK$PEAK: m/z int. rel.int.
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//