MassBank Record: KO003310

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Lysinamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003310
RECORD_TITLE: Lysinamide; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-001i-9000000000-69bdc62e803a6be527b1
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  19.4 19802.0 6.0
  40.7 64356.5 18.0
  43.2 84158.5 24.0
  45.0 49505.0 14.0
  55.3 193070.0 54.0
  56.0 876238.0 245.0
  57.9 14851.5 4.0
  64.7 19802.0 6.0
  67.1 217822.0 61.0
  68.0 39604.0 11.0
  68.9 148515.0 42.0
  69.8 24752.5 7.0
  71.8 14851.5 4.0
  77.0 34653.5 10.0
  77.4 14851.5 4.0
  78.0 19802.0 6.0
  82.0 64356.5 18.0
  83.2 24752.5 7.0
  84.3 3569310.0 999.0
  90.8 34653.5 10.0
  118.3 9901.0 3.0
  128.1 34653.5 10.0
//