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MassBank Record: KO003308

Lysinamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003308
RECORD_TITLE: Lysinamide; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-001i-9300000000-cdd41a00b44838dbf1e3
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  50.000 79208.0 6
  55.300 69307.0 5
  57.100 39604.0 3
  61.200 49505.0 4
  69.000 158416.0 12
  71.000 212871.5 17
  72.200 108911.0 9
  73.200 64356.5 5
  78.200 19802.0 2
  82.100 49505.0 4
  83.400 663367.0 52
  84.200 12688131.5 999
  85.300 44554.5 4
  86.200 59406.0 5
  87.300 227723.0 18
  91.300 99010.0 8
  93.000 222772.5 18
  95.500 24752.5 2
  100.500 24752.5 2
  101.000 64356.5 5
  111.300 698020.5 55
  112.100 599010.5 47
  114.000 262376.5 21
  117.800 9901.0 1
  128.100 242574.5 19
  129.100 2504953.0 197
  146.300 579208.5 46
//

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