MassBank Record: MSBNK-RIKEN_NPDepo-CB000300
ACCESSION: MSBNK-RIKEN_NPDepo-CB000300
RECORD_TITLE: Zearalenol; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Microbe, Resorcinols, Lactones
CH$NAME: Zearalenol
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C18H24O5
CH$EXACT_MASS: 320.389
CH$SMILES: C[C@H]1CCCC(O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1
CH$IUPAC: InChI=1S/C18H24O5/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/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14?/m0/s1
CH$LINK: CAS
36455-72-8 71030-11-0
CH$LINK: CHEMSPIDER
4754563
CH$LINK: INCHIKEY
FPQFYIAXQDXNOR-FLBVUZLHSA-N
CH$LINK: PUBCHEM
CID:6427035
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: splash10-00e9-0397001000-7b8a81a058d8d7a1b0f6
PK$NUM_PEAK: 483
PK$PEAK: m/z int. rel.int.
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