ACCESSION: MSBNK-Keio_Univ-KO003143
RECORD_TITLE: Homoarginine; 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 H073

CH$NAME: Homoarginine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆N₄O₂
CH$EXACT_MASS: 188.12733
CH$SMILES: NC(=N)NCCCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
CH$LINK: CAS 156-86-5
CH$LINK: KEGG C01924
CH$LINK: NIKKAJI J24H
CH$LINK: PUBCHEM SID:5030
CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID70926980

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$FOCUSED_ION: PRECURSOR_M/Z 189
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0900000000-860f0c1c052c981b2f3b
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  80.600 19802.0 1
  84.100 222772.5 1
  85.000 34653.5 1
  102.400 24752.5 1
  110.500 34653.5 1
  112.100 39604.0 1
  115.900 14851.5 1
  125.900 153465.5 1
  126.700 123762.5 1
  128.200 84158.5 1
  130.200 514852.0 2
  144.100 1841586.0 8
  154.000 79208.0 1
  157.300 198020.0 1
  171.500 217822.0 1
  172.400 1787130.5 8
  175.000 19802.0 1
  189.300 226312107.5 999
//