MassBank Record: KO003071



 L-Homocarnosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003071
RECORD_TITLE: L-Homocarnosine; 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 H013

CH$NAME: Homocarnosine CH$NAME: N-(4-Amino-1-oxobutyryl)histidine CH$NAME: L-Homocarnosine CH$NAME: gamma-Aminobutyryl 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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-6900000000-c8f91e39596c0e275f1e PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 40.900 108911.0 1 43.000 54455.5 1 56.200 148515.0 2 66.900 69307.0 1 68.200 1821784.0 23 69.100 8871296.0 114 69.900 39604.0 1 70.300 14851.5 1 81.200 757426.5 10 82.200 1153466.5 15 83.300 10465357.0 134 84.300 44554.5 1 85.000 896040.5 11 86.200 9321791.5 120 87.000 301980.5 4 93.100 7539611.5 97 95.000 16955462.5 218 96.100 153465.5 2 97.100 168317.0 2 98.100 84158.5 1 99.200 79208.0 1 100.300 29703.0 1 105.700 44554.5 1 108.100 59406.0 1 109.100 198020.0 3 110.200 77851563.0 999 111.200 638614.5 8 117.900 108911.0 1 121.000 178218.0 2 122.400 44554.5 1 133.100 99010.0 1 134.900 64356.5 1 136.100 222772.5 3 138.200 49505.0 1 138.400 59406.0 1 139.900 44554.5 1 149.000 103960.5 1 150.300 232673.5 3 156.100 732674.0 9 156.600 29703.0 1 160.000 351485.5 5 161.300 49505.0 1 177.500 247525.0 3 178.200 252475.5 3 180.100 44554.5 1 //