Spectrum WA001736 for Cefotaxime

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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/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
GPRBEKHLDVQUJE-VINNURBNSA-N
C16H17N5O7S2
455.05693988400003
O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2N=C(O)C(=NOC)C3=CSC(=N)N3

Mass Spectral Metadata

NameValue
WA001736
CC BY-NC
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
455.05694
ZQ, Waters
LC-ESI-Q
MS1
ESI
10.780 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
45 V
ignore rel.int. < 5
positive
4.345699133541788
0.8386492973634205