MassBank of North America

Spectrum CB000288 for Chloramphenicol

Rating: ★★★★☆

Originally submitted to the MassBank High Quality Mass Spectral Database as MassBank

SPLASH:
splash10-0006-0936000000-eb7d9f92993b3f8b388a
Submitter:
Toshihiko Nogawa

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.

Kingdom
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Organic compounds
- Superclass
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  Benzenoids
  - Class
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    Benzene and substituted derivatives
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      Nitrobenzenes

Compound Metadata

Name	Value
compound class Create New Query Add to Query	Carbohydrates
InChI Create New Query Add to Query	InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)
InChIKey Create New Query Add to Query	WIIZWVCIJKGZOK-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C11H12Cl2N2O5
total exact mass Create New Query Add to Query	322.012326844
SMILES Create New Query Add to Query	O=N(=O)C1=CC=C(C=C1)C(O)C(N=C(O)C(Cl)Cl)CO

External Identifier	Value
cas Create New Query Add to Query	56-75-7
chemspider Create New Query Add to Query	5744 128822
pubchem cid Create New Query Add to Query	298

Mass Spectral Metadata

Name	Value
accession Create New Query Add to Query	CB000288
date Create New Query Add to Query	2018.04.04
author Create New Query Add to Query	Nogawa T, Okano A, CSRS, RIKEN
license Create New Query Add to Query	BY-CC
comment Create New Query Add to Query	Origin: Microbe, Propylene glycols, Nitrobenzenes
exact mass Create New Query Add to Query	323.1347
instrument Create New Query Add to Query	ABSciex API3200 LC/MS system
instrument type Create New Query Add to Query	LC-ESI-QQQ
ms level Create New Query Add to Query	MS1
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	4.198481633170042
normalized entropy Create New Query Add to Query	0.8724689918587126
precursor type Create New Query Add to Query	[M+H]+
precursor m/z Create New Query Add to Query	323.020296844
mass accuracy Create New Query Add to Query	0.0 ppm
mass error Create New Query Add to Query	0.0 Da