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$EXACT_MASS: 145.12151000000000067302607931196689605712890625
CH$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 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.
  36.000 49505.0 3
  50.200 2792082.0 166
  61.900 24752.5 1
  63.900 311881.5 19
  67.900 64356.5 4
  78.100 3806934.5 226
  82.100 485149.0 29
  83.100 74257.5 4
  84.000 1202971.5 72
  85.900 74257.5 4
  86.900 19802.0 1
  93.100 79208.0 5
  97.100 49505.0 3
  100.200 168317.0 10
  105.300 19802.0 1
  110.500 39604.0 2
  111.200 1094060.5 65
  112.100 74257.5 4
  114.300 663367.0 39
  128.300 2079210.0 124
  129.000 9910901.0 589
  146.300 16806947.5 999
//