Spectrum WA002504 for Tolbutamide

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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/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
JLRGJRBPOGGCBT-UHFFFAOYSA-N
C12H18N2O3S
270.103813436
O=S(=O)(NC(O)=NCCCC)C1=CC=C(C=C1)C

Mass Spectral Metadata

NameValue
35 C
WA002504
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
270.10381
ZQ, Waters
LC-ESI-Q
MS1
ESI
16.100 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
30 V
ignore rel.int. < 5
positive
2.416881211931346
0.7177513749782579