MassBank Record: KO000980



 L-Homocarnosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000980
RECORD_TITLE: L-Homocarnosine; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0900000000-4122cf33c566cb50775c PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 35.200 39604.0 6 67.000 44554.5 6 71.900 29703.0 4 80.100 44554.5 6 80.900 361386.5 53 84.600 133663.5 19 93.100 346535.0 50 96.800 29703.0 4 100.800 252475.5 37 101.900 217822.0 32 108.000 292079.5 43 110.300 6861393.0 999 115.400 34653.5 5 136.200 148515.0 22 137.300 445545.0 65 140.800 564357.0 82 154.100 2856438.5 416 177.100 143564.5 21 178.800 24752.5 4 195.300 39604.0 6 205.400 49505.0 7 206.400 1049506.0 153 239.000 44554.5 6 //