ACCESSION: MSBNK-Keio_Univ-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: 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 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.
  19.400 19802.0 6
  40.700 64356.5 18
  43.200 84158.5 24
  45.000 49505.0 14
  55.300 193069.5 54
  56.000 876238.5 245
  57.900 14851.5 4
  64.700 19802.0 6
  67.100 217822.0 61
  68.000 39604.0 11
  68.900 148515.0 42
  69.800 24752.5 7
  71.800 14851.5 4
  77.000 34653.5 10
  77.400 14851.5 4
  78.000 19802.0 6
  82.000 64356.5 18
  83.200 24752.5 7
  84.300 3569310.5 999
  90.800 34653.5 10
  118.300 9901.0 3
  128.100 34653.5 10
//