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MassBank Record: KO001101

Homoarginine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001101
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

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

PK$SPLASH: splash10-000i-0900000000-46385e830fe015de53ab
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  59.100 29703.0 1
  104.700 14851.5 1
  126.900 361386.5 11
  128.400 24752.5 1
  142.900 54455.5 2
  145.100 1777229.5 55
  151.200 1316833.0 41
  170.200 653466.0 20
  187.300 32336666.0 999
//

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