Spectrum MoNA023984 for STACHYOSE

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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
InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
UQZIYBXSHAGNOE-XNSRJBNMSA-N
C24H42O21
666.2218583639999
OCC1OC(OCC2OC(OCC3OC(OC4(OC(CO)C(O)C4O)CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Mass Spectral Metadata

NameValue
Flow Injection
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
ESI
MS2
HCD (NCE 40%)
C24H42O21
666.0
666.22186
IROA_DB_for_mona_filtered_exported_addedInfo.msp
negative
2.3962791307401066
0.5979735200383881
665.21456
[M-H]-
0.033619227827297024 ppm
-2.2363999846675142E-5 Da