ACCESSION: MSBNK-RIKEN_NPDepo-CB000230
RECORD_TITLE: Hymecromone, O-(2-Acetamido-2-deoxy-beta-D-glucopyranoside); LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Coumarins

CH$NAME: Hymecromone, O-(2-Acetamido-2-deoxy-beta-D-glucopyranoside)
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C₁₈H₂₁NO₈
CH$EXACT_MASS: 379.37
CH$SMILES: CC(O)=NC1C(O)[C@H](O)C(CO)O[C@H]1Oc1ccc2c(C)cc(=O)oc2c1
CH$IUPAC: InChI=1S/C18H21NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)/t13?,15?,16-,17?,18-/m1/s1
CH$LINK: INCHIKEY QCTHLCFVVACBSA-XAMVCXPESA-N
CH$LINK: PUBCHEM CID:88559609

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$SPLASH: splash10-0udi-0794010400-2f270115fae407102c0e
PK$NUM_PEAK: 173
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//