MassBank Record: MT000133

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Lysine; LC-ESI-IT; MS2; m/z: 147.2; [M+H]+

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

ACCESSION: MT000133
RECORD_TITLE: Lysine; LC-ESI-IT; MS2; m/z: 147.2; [M+H]+
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: Lysine
CH$COMPOUND_CLASS: Natural Product; Amino acids
CH$FORMULA: C6H14N2O2
CH$EXACT_MASS: 146.10552999999998746716300956904888153076171875
CH$SMILES: NCCCCC(N)C(O)=O
CH$IUPAC: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)
CH$LINK: CAS 657-27-2
CH$LINK: HMDB HMDB00182
CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N
CH$LINK: KEGG C00047

AC$INSTRUMENT: LTQ XL, Thermo Finnigan
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 147.2
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-001i-0900000000-777d3950607757650071
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  84.2 3.0 30
  101.2 0.3 3
  129.2 9.2 92
  130.1 100.0 999
  131.0 0.7 7
//