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MassBank Record: KO003309

Lysinamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003309
RECORD_TITLE: Lysinamide; LC-ESI-QQ; MS2; CE:30 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: KEGG C01930
CH$LINK: PUBCHEM SID:5036
CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID50186101

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 30 V

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

PK$SPLASH: splash10-001i-9000000000-d8ede80b976ce24638c4
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  44.600 14851.5 2
  54.900 277228.0 28
  56.200 376238.0 38
  67.000 193069.5 20
  69.400 257426.0 26
  70.300 34653.5 4
  72.000 34653.5 4
  76.900 123762.5 13
  82.100 44554.5 5
  82.900 148515.0 15
  84.100 9767336.5 999
  86.300 79208.0 8
  87.200 108911.0 11
  91.100 59406.0 6
  93.200 29703.0 3
  95.500 24752.5 3
  111.300 44554.5 5
  112.300 94059.5 10
  114.300 59406.0 6
//

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