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MassBank Record: PS077008

AOA, AOAA, Aminooxyacetic acid Hemihydrochloride, CMO, Aminooxyacetic acid, Carboxymethoxylamine; LC-ESI-QQ; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PS077008
RECORD_TITLE: AOA, AOAA, Aminooxyacetic acid Hemihydrochloride, CMO, Aminooxyacetic acid, Carboxymethoxylamine; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Wako, 037-06191 .
COMMENT: PRIMe compound in-house ID S0180
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: AOA
CH$NAME: AOAA
CH$NAME: Aminooxyacetic acid Hemihydrochloride
CH$NAME: CMO
CH$NAME: Aminooxyacetic acid
CH$NAME: Carboxymethoxylamine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Acetic acid
CH$FORMULA: C2H5NO3
CH$EXACT_MASS: 91.066
CH$SMILES: C(C(=O)O)ON
CH$IUPAC: InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
CH$LINK: CAS 645-88-5
CH$LINK: PUBCHEM CID:286
CH$LINK: INCHIKEY NQRKYASMKDDGHT-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 90.98

PK$SPLASH: splash10-0002-9000000000-035e27a5416cb96376eb
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  44.0 18049.0 144
  45.0 125470.0 999
//

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