MassBank Record: MSBNK-Keio_Univ-KO001105

Homoarginine; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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ACCESSION: MSBNK-Keio_Univ-KO001105
RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:50 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

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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

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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 50 V

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

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PK$SPLASH: splash10-0006-9000000000-f496e2b96544aa9df21d
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  40.900 148515.0 999
//