ACCESSION: MSBNK-Keio_Univ-KO001102
RECORD_TITLE: Homoarginine; 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 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

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

PK$SPLASH: splash10-0002-0900000000-c6d6b6435e521a93b453
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.100 59406.0 3
  58.900 24752.5 1
  73.200 14851.5 1
  86.900 49505.0 3
  103.200 34653.5 2
  111.000 128713.0 7
  112.800 9901.0 1
  114.700 14851.5 1
  125.000 168317.0 9
  126.000 123762.5 7
  126.900 207921.0 11
  128.100 1143565.5 62
  142.700 14851.5 1
  144.600 1886140.5 102
  145.200 18405959.0 999
  151.200 900991.0 49
  151.900 19802.0 1
  170.100 4183172.5 227
  187.300 3351488.5 182
//