Spectrum PM006304 for alpha-Zearalenol

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
320.16
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
FPQFYIAXQDXNOR-QDKLYSGJSA-N
C18H24O5
320.16237386800003
O=C1OC(C)CCCC(O)CCCC=CC=2C=C(O)C=C(O)C12

Mass Spectral Metadata

NameValue
PM006304
Hartmann N, Erbs M, Wettstein FE, Schwarzenbach RP, & Bucheli TD
Copyright(C) 2012 Plant Science Center, RIKEN
QqQ
Varian 1200L
25V
ESI
negative
authentic sample
[M-H]-
MS2
0.6931471805599453
1.0
319
[M-H]-
486.20021316627344 ppm
-0.15509786800004122 Da