MassBank Record: MSBNK-Keio_Univ-KO001103
ACCESSION: MSBNK-Keio_Univ-KO001103
RECORD_TITLE: Homoarginine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 187
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-e278e373c633748b7f2a
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
41.100 252475.5 37
57.900 59406.0 9
71.300 14851.5 2
72.100 29703.0 4
96.800 128713.0 19
99.400 94059.5 14
126.000 143564.5 21
126.300 133663.5 20
128.100 514852.0 76
145.200 6732680.0 999
151.100 188119.0 28
169.900 113861.5 17
187.200 29703.0 4
//