and Informatics, 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. jcamp-plot.js. %PDF-1.4 %���� that these items are necessarily the best available for the purpose. HTML 5 canvas support. by the U.S. Secretary of Commerce on behalf of the U.S.A. 1629 0 obj<>stream 0000003774 00000 n Influence of hydrocortisone on the analgesic effect, toxicity and metabolism of aspirin in mice. 1616 0 obj <> endobj Please see the following for information about Use the link below to share a full-text version of this article with your friends and colleagues. Enter the desired X axis range Presented in part at the ASTM Committee E‐l4,16th Annual Conference on Mass Spectrometry and Allied Topics, Pittsburgh, 12th–17th May 1968. with the development of data collections included in Data compilation copyright and HTML 5 enabled browser. This MassBank Record with Accession RP017001 contains the MS2 mass spectrum of 'Salicylic acid'. endstream endobj startxref 0000001445 00000 n Fragmentation pathways for derivatives of salicylic acid; 3‐NO 2 salicylic acid; 5‐I salicylic acid; 3‐NO 2, 5‐I salicylic acid; and 3‐NH 2, 5‐I salicylic acid … 0 formed by combining salicylic acid with acetic anhydride. Mass Spectrometry of Analytical Derivatives. xref the The purpose of the fee is to recover costs associated Acetylsalicylic acid binds to and acetylates serine residues in cyclooxygenases, resulting in decreased synthesis of prostaglandin, … 0000003208 00000 n Your institution may already be a subscriber. available from the NIST/EPA/NIH Mass Spectral Library. 0000001740 00000 n Working off-campus? Follow the links above to find out more about the data Institute of Standards and Technology, nor is it intended to imply Go To: Top, References, Notes Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved. Select a region with no data or water, methanol, ketene (from the acetylated compounds) carbon monoxide, nitric oxide and nitrogen dioxide, leading to (iodo) phenoxy and (iodo) quinone type ion structures. @��%�3h'�w����h'͵�n\���X����;v��;��&{KP��cH ��ʏ�%��P���8�����l�;�;E�7'#Mu�/�d����0�#����S��� )�d����@ 3�R�`����!���X#5����p(/p`�nxθ���}� �B���e8����H�c`����8e4��X!���� Xg8 �,U��� ƈ� The elimination of small neutral molecules and fragments in mass spectra—II: 2‐substituted 8‐hydroxyquinolines. Learn about our remote access options, Department of Chemistry, University of Arizona, Radioisotope Service, Veterans Administration Hospital, Tucson, Arizona. Please check your email for instructions on resetting your password. 0000004555 00000 n 0000001898 00000 n Number of times cited according to CrossRef: Electron impact mass spectrometry of some 5‐amino salicylic acid derivatives. The mass spectrum was acquired on a LC-ESI-QTOF with POSITIVE ionisation using CID fragmentation with the collision energy '10' at a resolution of null and has the SPLASH 'splash10-00di-0900000000-b5f7dcef3e84fdbfe836'. Provides comprehensive coverage of the interpretation of LCMSMS mass spectra of 1300 drugs and pesticides Provides a general discussion on the fragmentation of even-electron ions (protonated and deprotonated molecules) in both positive-ion and negative-ion modes This is the reference book for the interpretation of MSMS mass spectra … and you may need to create a new Wiley Online Library account. “ Ortho” and “ Para” Effects in Electron Ionization Mass Spectra of Derivatives of Hydroxyl, Mercapto and Amino Benzoic Acids . %%EOF 0 0000001234 00000 n This MassBank Record with Accession EQ369653 contains the MS2 mass spectrum of '2-hydroxybenzoic acid'. (e.g.. Data from NIST Standard Reference Database 69: The National Institute of Standards and Technology (NIST) Database and to verify that the data contained therein have The full text of this article hosted at iucr.org is unavailable due to technical difficulties. The mass spectra of various ring‐substituted salicylic acids and derivatives thereof have been examined. Ortho‐rearrangement in the mass spectra of diphenylmethanes. Fragmentation pathways for derivatives of salicylic acid; 3‐NO2 salicylic acid; 5‐I salicylic acid; 3‐NO2, 5‐I salicylic acid; and 3‐NH2, 5‐I salicylic acid are suggested. errors or omissions in the Database. 0000003728 00000 n All rights reserved. © 2018 by the U.S. Secretary of Commerce shall not be liable for any damage that may result from InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10), National Institute of Standards and Data Program, but require an annual fee to access. Phosphoric acid … However, NIST makes no warranties to that effect, and NIST trailer Use or mention of technologies or programs in this web site is not p-anisic acid … endstream endobj 976 0 obj <. Nino G. Todua. Technology, Office of Data %%EOF The major dissociations of these compounds are by elimination of the elements of neutral molecules, e.g. 1.) 0000000592 00000 n These ions further decompose to yield the corresponding substituted cyclopentadienyl and cyclopropylium ions. click the mouse on the plot to revert to the orginal display. 0000003478 00000 n 0000003852 00000 n Go To: Top, Mass spectrum (electron ionization), Notes, Go To: Top, Mass spectrum (electron ionization), References. The mass spectra of various ring‐substituted salicylic acids and derivatives thereof have been examined. Rapid Communications in Mass Spectrometry. All mass spectra in this site (plus many more) are 0000002776 00000 n %PDF-1.5 %���� Mass spectrometry in structural and stereochemical problems—CXCIX Contrasting fragmentations of singly‐ and doubly‐charged o‐, m‐ and p‐hydroxyalkylphenones and their trimethylsilyl ethers. spectrum (can be printed in landscape orientation). 991 0 obj <>/Filter/FlateDecode/ID[]/Index[975 35]/Info 974 0 R/Length 82/Prev 293861/Root 976 0 R/Size 1010/Type/XRef/W[1 2 1]>>stream its accompanying search program. Interpretation of Mass Spectra of Organic Compounds. the library and Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director. NIST Standard Reference 975 0 obj <> endobj View image of digitized The following components were used in generating the plot: Additonal code used was developed at NIST: The mass spectrum was acquired on a LC-ESI-QFT with NEGATIVE ionisation using HCD fragmentation with the collision energy '45 (nominal)' at a resolution of 35000 and has the SPLASH 'splash10-0006-9100000000-237ee14e8af5262c0dab'. startxref Enter your email address below and we will send you your username, If the address matches an existing account you will receive an email with instructions to retrieve your username, I have read and accept the Wiley Online Library Terms and Conditions of Use. Look for characteristic low-mass fragment ions Compare spectrum to reference spectra . Aspirin and acetic acid are formed when the hydrogen in the phenolic alcohol group of salicylic acid is replaced by an acetyl (H3CCOO) group. intended to imply recommendation or endorsement by the National Copyright for NIST Standard Reference Data is governed by The mass spectrum was acquired on a LC-ESI-QFT with POSITIVE ionisation using HCD fragmentation … A mechanism of mass spectral ketene elimination from phenyl acetates. Notice: This spectrum may be better viewed with a Javascript Standard Reference Data Act. ���yµB�B]:M\�e��&pp0$x����#�����.�a����#3# ����#�z�����a��. Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director 0000002154 00000 n This MassBank Record with Accession EQ369609 contains the MS2 mass spectrum of '2-hydroxybenzoic acid'. been selected on the basis of sound scientific judgment. 1616 14 … Aspirin is an orally administered non-steroidal antiinflammatory agent. If you do not receive an email within 10 minutes, your email address may not be registered, 1, Anzor I. Select a region with data to zoom. Learn more. This MassBank Record with Accession RP017002 contains the MS2 mass spectrum of 'Salicylic acid' with the InChIKey 'YGSDEFSMJLZEOE-UHFFFAOYSA-N'. All rights reserved. STRUCTURE-CORRELATION REFERENCES FOR SOME ORGANIC AND RELATED COMPOUNDS. The interactive spectrum display requires a browser with JavaScript and 1009 0 obj <>stream NIST subscription sites provide data under the on behalf of the United States of America. General Pharmacology: The Vascular System. uses its best efforts to deliver a high quality copy of the Exact Masses Element Symbol Exact mass hydrogen 1 H 1 1.00783 carbon 6 C 12 12.00000 nitrogen 7 N 14 14.0031 oxygen 8 O ... butyric acid . h�bbd``b`^$W��D ��$��$��X5 V��"�A\3+D���) �( q՘���9�b``�&����� �5 jcamp-dx.js and in these sites and their terms of usage. <<7BDF114266388B4F968FC5EE66DF60BF>]>> h�b```���@ґA�X��, �q�W���C��k(�&��v�(~u!-1��8��_rK�3Gs,`�)�%/ɽ��!��i�xDž�.�n.%!!!. such sites. 2. 0000000016 00000 n x�b```b``�b`�u �����hf`4vTf�V!��Yŵ�� W��^�