MassBank Record: KO003311

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Lysinamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003311
RECORD_TITLE: Lysinamide; LC-ESI-QQ; MS2; CE:50 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$EXACT_MASS: 145.12151000000000067302607931196689605712890625
CH$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 50 V

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

PK$SPLASH: splash10-0a59-9000000000-bd68c55ed97ee8d4f9a6
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  40.700 64356.5 124
  42.800 19802.0 38
  55.200 69307.0 133
  56.000 519802.5 999
  67.200 69307.0 133
  68.000 39604.0 76
  69.000 59406.0 114
  84.100 371287.5 714
//