MassBank Record: MSBNK-RIKEN_NPDepo-CB000341
ACCESSION: MSBNK-RIKEN_NPDepo-CB000341
RECORD_TITLE: Zearalenone; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Microbe
COMMENT: Formula(Parent): C18H22O5
COMMENT: Bottle Name:zearalenone
COMMENT: PRIME Parent Name:Zearalenone
COMMENT: PRIME in-house No.:V0033
CH$NAME: FES
CH$NAME: Fusarium toxin
CH$NAME: Mycotoxin F2
CH$NAME: Benzoxacyclotetradecin-1,7(8H)-dione
CH$NAME: Zenone
CH$NAME: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone
CH$NAME: Zearalenone
CH$COMPOUND_CLASS: Polyketides
CH$FORMULA: C18H22O5
CH$EXACT_MASS: 318.373
CH$SMILES: C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1
CH$IUPAC: InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1
CH$LINK: CAS
17924-92-4
CH$LINK: CHEMSPIDER
4444897
CH$LINK: INCHIKEY
MBMQEIFVQACCCH-QBODLPLBSA-N
CH$LINK: COMPTOX
DTXSID0021460
CH$LINK: PUBCHEM
CID:5281576
AC$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$SPLASH: splash10-014i-0297000000-53bb5ad5f941da2d5d88
PK$NUM_PEAK: 378
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