MassBank Record: KO003070



 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: KO003070
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: 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-2900000000-b0c96a1971d8e230da77 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 57.000 24752.5 1 62.800 59406.0 1 68.100 351485.5 3 69.100 3024755.5 23 73.900 19802.0 1 80.800 84158.5 1 82.100 247525.0 2 83.200 2153467.5 16 85.000 1747526.5 13 86.100 14920807.0 111 87.000 301980.5 2 93.100 1613863.0 12 95.000 17995067.5 134 96.400 79208.0 1 97.200 153465.5 1 98.100 44554.5 1 105.100 39604.0 1 106.500 19802.0 1 109.000 198020.0 1 110.100 133757559.5 999 111.100 757426.5 6 111.900 133663.5 1 117.900 49505.0 1 121.000 89109.0 1 124.400 34653.5 1 126.100 133663.5 1 128.000 49505.0 1 133.400 34653.5 1 134.300 29703.0 1 134.800 89109.0 1 135.400 14851.5 1 138.000 450495.5 3 139.200 227723.0 2 140.100 198020.0 1 144.900 39604.0 1 146.300 94059.5 1 148.900 193069.5 1 150.100 371287.5 3 151.400 44554.5 1 156.200 16836650.5 126 159.800 54455.5 1 160.200 69307.0 1 161.500 19802.0 1 162.600 24752.5 1 170.400 74257.5 1 177.100 643565.0 5 178.300 1257427.0 9 179.400 579208.5 4 180.300 643565.0 5 187.900 14851.5 1 195.400 34653.5 1 205.100 217822.0 2 223.300 133663.5 1 224.100 257426.0 2 //