ACCESSION: MSBNK-Keio_Univ-KO000265
RECORD_TITLE: Ne-Acetyllysine; 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 A174

CH$NAME: Ne-Acetyllysine
CH$NAME: N6-Acetyl-L-lysine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆N₂O₃
CH$EXACT_MASS: 188.11609
CH$SMILES: CC(=O)NCCCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
CH$LINK: CAS 692-04-6
CH$LINK: CHEBI 17752
CH$LINK: CHEMPDB ALY
CH$LINK: KEGG C02727
CH$LINK: NIKKAJI J206.006J
CH$LINK: PUBCHEM SID:5689
CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 187
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-1900000000-da02d0f8bd73b5b96b46
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  41.900 59406.0 6
  45.300 148515.0 16
  58.200 1351486.5 145
  67.700 14851.5 2
  69.800 34653.5 4
  72.200 54455.5 6
  74.100 24752.5 3
  97.100 643565.0 69
  99.200 153465.5 16
  111.400 103960.5 11
  113.900 188119.0 20
  125.700 262376.5 28
  126.300 113861.5 12
  127.000 44554.5 5
  128.100 287129.0 31
  139.100 554456.0 59
  141.000 430693.5 46
  143.200 490099.5 52
  145.200 9326742.0 999
  187.200 1351486.5 145
//