MassBank Record: KO000982



 L-Homocarnosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000982
RECORD_TITLE: L-Homocarnosine; 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 H013

CH$NAME: Homocarnosine CH$NAME: L-Homocarnosine CH$NAME: gamma-Aminobutyryl histidine CH$NAME: N-(4-Amino-1-oxobutyryl)histidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H16N4O3 CH$EXACT_MASS: 240.12224 CH$SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCCN CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1 CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: NIKKAJI J14.557B CH$LINK: PUBCHEM SID:4140
AC$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
MS$FOCUSED_ION: PRECURSOR_M/Z 239 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9300000000-070dc0c8b3dd7c86b868 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 67.000 69307.0 67 71.800 34653.5 33 74.000 29703.0 29 80.100 702971.0 679 81.300 1034654.5 999 84.100 232673.5 225 93.300 410891.5 397 101.300 44554.5 43 108.100 49505.0 48 110.100 772278.0 746 116.000 9901.0 10 137.300 29703.0 29 149.400 24752.5 24 190.100 19802.0 19 //