Your message has been sent. Hence, the mass spectrum of a sample is a pattern representing the distribution of ions by mass (more correctly: mass-to-charge ratio) in a sample.It is a histogram usually acquired using an instrument called a mass spectrometer.Not all mass spectra of a given substance are the same. uses its best efforts to deliver a high quality copy of the A few compounds have mass spectra which don't contain a molecular ion peak, because all the molecular ions break into fragments. Parties interested in commercial licencing or other arrangements should contact Prof Alan E. Mark at the address provided at the bottom of the page. Chlorobenzene | C 6 H 5 Cl | MD Topology | NMR | X-Ray. jcamp-plot.js. Benzene, chloro-; Chlorobenzene; Monochlorobenzene; MCB; Phenyl Chloride; Benzene chloride; Chlorbenzene; Chlorobenzol; Monochlorbenzene; Chloorbenzeen; Chlorbenzol; Chlorobenzen; Chlorobenzene, mono-; Clorobenzene; Monochloorbenzeen; Monochlorbenzol; Monoclorobenzene; NCI-C54886; Chlorobenzenu; Abluton T30; UN 1134; CP 27; IP Carrier T 40; NSC 8433; Tetrosin SP, Click and drag to zoom, double click to reset zoom, Drag and Drop Attachments Here (optional), 502.2 VOA Calibration Kit #2 (2,000 µg/mL), 502.2 VOA Calibration Kit #1 (2,000 µg/mL), 524 Rev. NIST subscription sites provide data under the Rats were exposed to (14)C-chlorobenzene vapor at concentrations of 100, 400, and 700 ppm for 8 hours. uses its best efforts to deliver a high quality copy of the Please try again later, or contact Restek or your local Restek representative via phone. Compound Structure and Properties. ], Int. the Use or mention of technologies or programs in this web site is not Sorry, your message could not be sent at this time. Data compilation copyright By using this website, you agree to the use of cookies in accordance with our guidelines. The Automated Topology Builder (ATB) and Repository has been developed and is currently maintained with support from the University of Queensland (UQ), the Australian Research Council (ARC) and the Queensland Cyber Infrastructure Foundation (QCIF). Data Program, but require an annual fee to access. Follow the links above to find out more about the data The molecular ion containing the 35 Cl isotope has a relative formula mass of 78. © 2018 by the U.S. Secretary of Commerce However, NIST makes no warranties to that effect, and NIST Database and to verify that the data contained therein have that these items are necessarily the best available for the purpose. What type of feature will be observed in the EI mass spectrum of chlorobenzene? A signal at 112 and a signal at 114 in a ratio of 3:1. 4.0 Volatile Organics Kit (2,000 µg/mL), Drinking Water VOA MegaMix Standard, 524.2 Rev. Chlorobenzene CAS # 108-90-7. Go To: Top, References, Notes Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved. the By using this website, you agree to the use of cookies in accordance with our guidelines. This MassBank Record with Accession JP003628 contains the MS mass spectrum of 'CHLOROBENZENE'. The molecular ion peaks (M+ and M+2) each contain one chlorine atom - but the chlorine can be either of the two chlorine isotopes, 35 Cl and 37 Cl. You may or may not leave your name to let the admin get back to you. Related Products. such sites. Please enable Javascript in your browser. Chlorobenzene once was used in the manufacture of certain pesticides, most notably DDT, by reaction with chloral (trichloroacetaldehyde), but this application has declined with the diminished use of DDT. Go To: Top, Mass spectrum (electron ionization), Notes, Go To: Top, Mass spectrum (electron ionization), References. Commercial access is available by licence or collaborative agreement. been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST Details. Sorry, your message could not be sent at this time. NIST Standard Reference Technology, Office of Data Use the button above to use OFraMP fragment-based charge assignment. The following components were used in generating the plot: Additonal code used was developed at NIST: We will be in touch shortly. by the U.S. Secretary of Commerce on behalf of the U.S.A. Ion … Someone will have a look at this topology shortly. All rights reserved. Copyright for NIST Standard Reference Data is governed by and Informatics, Computational Chemistry Comparison and Benchmark Database, X-ray Photoelectron Spectroscopy Database, version 4.1, NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data), NIST Mass Spectrometry Data Center, William E. Wallace, director, Modified by NIST for use in this application. No charge assignments available. This site requires that Javascript be enabled. spectrum (can be printed in landscape orientation). (e.g.. Data from NIST Standard Reference Database 69: The National Institute of Standards and Technology (NIST) HTML 5 canvas support. Increase in exposure by a factor of seven (100-700 ppm) increased the total uptake of radioactivity by a factor of about 13. Standard Reference Data Act. Use between 5 and 200 characters. That isn't a problem you are likely to meet at A'level. Cookies allow for a variety of features that make your visit to Restek more enjoyable. Access for academic use is conditional on: i) any molecule submitted to the ATB being made publically available and ii) the source of any material downloaded from the ATB being appropriately acknowledged in any publications or other forms in which research using this material is disseminated. available from the NIST/EPA/NIH Mass Spectral Library. For more information, see our privacy policy. Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director National Institute of Standards and Go To: Top, Infrared Spectrum, References. shall not be liable for any damage that may result from Data from NIST Standard Reference Database 69: NIST Chemistry WebBook; The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. Molecular Weight: 112.5569: Formula: C 6 H 5 Cl: Melting Point-45 °C, 228 °K, -49 °F: Boiling Point: 131 °C, 404 °K, 268 °F: Density: 1.11 g/cm³, liquid: Solubility in Water: low: Data above sourced from ChemSpider and Wikipedia. All rights reserved. Your message has been sent. You may or may not leave your name to let the admin get back to you. Benzyl alcohol mass spectrum . Resolution National Institute of Standards and Parameters are asigned from existing parameters with a set of rules based on atom types and geometry. We will be in touch shortly. and Informatics, Computational Chemistry Comparison and Benchmark Database, X-ray Photoelectron Spectroscopy Database, version 4.1, NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data). For more information, see our privacy policy. Chlorobenzene-d5; Benzene-d5-, chloro-; Chlorobenzene, perdeutero-; Chlorobenzène-d5; Clorobenzene-d5. its accompanying search program. NIST Standard Reference MSDC-IR - NIST Mass Spectrometry Data Center, William E. Wallace, director The interactive spectrum display requires a browser with JavaScript and and HTML 5 enabled browser. If the mass spectrum of chlorobenzene shows a peak with an m/z value of 114, having an abundance of 15%, calculate the m/z value and approximate abundance of the molecular ion peak. The purpose of the fee is to recover costs associated For queries regarding the ATB, please contact: Biochemical and Biophysical Systems Group, LLNL. by the U.S. Secretary of Commerce on behalf of the U.S.A. Select a region with no data or m/z Click and drag to zoom, double click to reset zoom Hover over end of line for value. All rights reserved. Please try again later, or contact Restek or your local Restek representative via phone. J. Visualize with JSmol. Synonyms. been selected on the basis of sound scientific judgment. shall not be liable for any damage that may result from click the mouse on the plot to revert to the orginal display. with the development of data collections included in The one containing 37 Cl has a relative formula mass of 80 - hence the two lines at m/z = 78 and m/z = 80.. Notice that the peak heights are in the ratio of 3 : 1. All rights reserved. the library and Exact Mass: 117.039362 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) Monoisotopic Mass: 117.039362 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) Topological Polar Surface Area: 0 Ų: Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) Heavy Atom Count: 7: Computed by PubChem: Formal Charge: 0: Computed by PubChem: Complexity: 46.1 Chlorobenzene mass spectrum Cl 77 112 114 -35 . Enter the desired X axis range More information on the manner in which spectra in this collection were collected can be found here. Access to the ATB is provided free to academic users from publically funded teaching or research institutions. m/z Click and drag to zoom Access to this feature is currently restricted. on behalf of the United States of America. All rights reserved. Please enable Javascript in your browser. 4.1, Volatiles MegaMix Standard, EPA Method 624, 8260A Volatile Organics Kit (2,000 µg/mL), European Pharmacopoeia/ICH Q3C(M) Class 2 Mix A, Revised, Residual Solvents Class 2 - Mix A (2013 Rev), TO-15 (HJ759) + PAMS on Rt-Alumina BOND/MAPD (by FID) and Rxi-624Sil MS (by MS) using Deans Switch, 4-Hr Shipping Facility Air Sample with radiello 145, NJ Low Level TO-15 75 Component Mix on Rtx-VMS (60 m, 40 °C start), NJ Low Level TO-15 75 Component Mix on Rtx-VMS (30 m, 2.0 mL/min), Residual Solvents Class 2 - Mix A (2013 Rev) on Stabilwax (G16), Residual Solvents Class 2 — Mix A on Rxi-624Sil MS (G43) by USP <467>, 40 ppb Volatiles in Drinking Water on Rtx-VMS by EPA Method 524.4, TO-15 65 Component Mix on Rxi-5Sil MS (30 m), TO-15 65 Component Mix on Rtx-VMS (30 m, 1.2 mL/min), TO-15 65 Component Mix on Rtx-VMS (30 m, 2.0 mL/min), Volatile Organics TO-15 Volatiles on Rtx-1, OVIs by Dynamic Headspace and Gerstel MACH on Rtx-WAX (G16), TO-15 65 Component Mix on Rxi-5Sil MS (30 m, 1.5 mL/min), Volatile Organics US EPA Method 8260B on Rtx-VMS, TO-15 65 Component Mix on Rxi-5Sil MS (30 m, 2.0 mL/min), 5 ppb Volatiles in Drinking Water on Rtx-VMS by EPA Method 524.3, TO-15 65 Component Mix on Rxi-624Sil MS (30 m), Custom Residual Solvent Mix on Rxi-624Sil MS (using conditions from Pro, Volatile Organics by EPA Method 8021A/502.2 on Rtx-502.2, OVIs by Dynamic Headspace and Gerstel MACH on Rtx-624 (G43) and Rtx-WAX (G16), Volatile Organics by EPA 8260B & Oxygenates on Rtx-VMS, Volatiles by EPA Method 8260 on Rxi-624Sil MS (30m, 0.25mm ID, 1.40µm), Competitor Comparison: Class 2 - Mix A Residual Solvents for USP <467> Water-Soluble Articles, Volatile Organics by EPA 8260B on Rtx-VMS, Residual Solvents Class 2 Mixture A on Rtx-624, Residual Solvents (Class 2 - Mixture A) on Stabilwax (G16), Volatile Organics by EPA 8021 on Rtx-VRX, Volatile Organics by EPA Method 8260 (80ppb Standard) on Rtx-VMS, Volatile Organics by U.S. EPA Method 524.2 Revision IV on Rtx-VMS, Residual Solvents (Class 2 - Mixture A) for Water-Soluble Articles on Rxi-624Sil MS, Class 2 - Mix A Residual Solvents for Water-Insoluble Articles on Rxi-624Sil MS.
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