MassBank MassBank Search Contents Download

MassBank Record: PS028801

L-Serine, beta-Hydroxyalanine, Ser, (S)-2-Amino-3-hydroxypropionic acid, L-alpha-Aminohydroacrylic Acid; LC-ESI-QQ; MS2

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

ACCESSION: PS028801
RECORD_TITLE: L-Serine, beta-Hydroxyalanine, Ser, (S)-2-Amino-3-hydroxypropionic acid, L-alpha-Aminohydroacrylic Acid; 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 SIGMA, S4500.
COMMENT: PRIMe compound in-house ID 288
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$NAME: L-Serine
CH$NAME: beta-Hydroxyalanine
CH$NAME: Ser
CH$NAME: (S)-2-Amino-3-hydroxypropionic acid
CH$NAME: L-alpha-Aminohydroacrylic Acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine
CH$FORMULA: C3H7NO3
CH$EXACT_MASS: 105.093
CH$SMILES: C(C(C(=O)O)N)O
CH$IUPAC: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
CH$LINK: CAS 56-45-1
CH$LINK: KEGG C00065
CH$LINK: PUBCHEM CID:5951
CH$LINK: INCHIKEY MTCFGRXMJLQNBG-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 106.06

PK$SPLASH: splash10-0a4i-4900000000-c81df592e341bf1669bd
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  59.0 17773.0 36
  60.0 241151.0 484
  88.0 60167.0 121
  105.0 81219.0 163
  106.0 497523.0 999
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze