MassBank Record: KO003307

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Lysinamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003307
RECORD_TITLE: Lysinamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID L027

CH$NAME: Lysinamide
CH$NAME: L-Lysinamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H15N3O
CH$EXACT_MASS: 145.12151
CH$SMILES: NCCCC[C@H](N)C(N)=O
CH$IUPAC: InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/t5-/m0/s1
CH$LINK: COMPTOX DTXSID50186101
CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N
CH$LINK: KEGG C01930
CH$LINK: PUBCHEM SID:5036

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 146
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-002b-2900000000-6b0f3fb7f3bba10d00a1
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  36.0 49505.0 3.0
  50.2 2792080.0 166.0
  61.9 24752.5 1.0
  63.9 311882.0 19.0
  67.9 64356.5 4.0
  78.1 3806930.0 226.0
  82.1 485149.0 29.0
  83.1 74257.5 4.0
  84.0 1202970.0 72.0
  85.9 74257.5 4.0
  86.9 19802.0 1.0
  93.1 79208.0 5.0
  97.1 49505.0 3.0
  100.2 168317.0 10.0
  105.3 19802.0 1.0
  110.5 39604.0 2.0
  111.2 1094060.0 65.0
  112.1 74257.5 4.0
  114.3 663367.0 39.0
  128.3 2079210.0 124.0
  129.0 9910900.0 589.0
  146.3 1.68069E7 999.0
//