Spectrum FiehnHILIC001290 for Lactose

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

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
GUBGYTABKSRVRQ-QKKXKWKRSA-N
C12H22O11
342.116211524
OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1

Mass Spectral Metadata

NameValue
M + 0
negative
8.7808
HCD (NCE 20-30-40%)
1495
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.8562135695640465
0.8033569485085845
341.1091
[M-H]-
0.48218004154394384 ppm
1.644760000090173E-4 Da