MassBank Record: MSBNK-Keio_Univ-KO003146
ACCESSION: MSBNK-Keio_Univ-KO003146
RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-a38a229535f2850ad836
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
41.300 292079.5 7
42.200 39604.0 1
43.000 440594.5 11
43.900 59406.0 2
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56.300 1301981.5 33
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64.700 168317.0 4
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67.600 103960.5 3
69.000 1064357.5 27
69.800 54455.5 1
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74.000 638614.5 16
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80.300 39604.0 1
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84.300 39123801.5 999
85.000 4267331.0 109
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//