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MassBank Record: MSBNK-RIKEN_ReSpect-PT211310

6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES, (4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT211310
RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES, (4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione; LC-ESI-QTOF; MS2
DATE: 2008.07.29
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone
CH$NAME: Fusarium toxin
CH$NAME: Benzoxacyclotetradecin-1,7(8H)-dione
CH$NAME: zearalenone
CH$NAME: Mycotoxin F2
CH$NAME: Zenone
CH$NAME: FES
CH$NAME: (4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Zearalenone
CH$FORMULA: C18H22O5
CH$EXACT_MASS: 318.369
CH$SMILES: CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O
CH$IUPAC: InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3
CH$LINK: CAS 17924-92-4
CH$LINK: INCHIKEY MBMQEIFVQACCCH-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 317.13892

PK$SPLASH: splash10-014i-0917000000-b5f26f9566e9eec91189
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  130.0453 691.3 171
  131.0527 1538.0 380
  147.0482 432.1 107
  149.0641 450.7 111
  160.0201 660.6 163
  175.0435 1295.0 320
  187.0442 555.4 137
  273.1557 763.3 189
  317.1389 4039.0 999
  317.585 767.0 190
//

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