MassBank Record: KO003069



 L-Homocarnosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003069
RECORD_TITLE: L-Homocarnosine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0900000000-52aea70840a4d10db304 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 56.800 19802.0 1 62.800 118812.0 1 67.900 39604.0 1 68.900 113861.5 1 77.100 49505.0 1 82.200 39604.0 1 83.200 183168.5 1 85.300 410891.5 3 86.200 7514859.0 61 93.100 64356.5 1 95.000 3108914.0 25 105.000 34653.5 1 109.400 89109.0 1 110.100 55757481.5 455 111.300 168317.0 1 112.100 143564.5 1 117.300 34653.5 1 120.900 54455.5 1 122.900 24752.5 1 126.400 39604.0 1 127.900 49505.0 1 138.200 1118813.0 9 138.900 59406.0 1 140.100 74257.5 1 143.800 29703.0 1 146.100 39604.0 1 149.300 207921.0 2 150.000 207921.0 2 152.300 24752.5 1 156.100 122316954.0 999 158.900 54455.5 1 162.600 14851.5 1 165.200 44554.5 1 168.300 123762.5 1 168.700 39604.0 1 170.100 148515.0 1 174.900 24752.5 1 177.100 257426.0 2 178.400 668317.5 5 179.300 1178219.0 10 180.200 1866338.5 15 186.500 14851.5 1 188.000 133663.5 1 196.400 212871.5 2 204.200 89109.0 1 205.300 846535.5 7 206.200 351485.5 3 209.500 19802.0 1 223.300 4336638.0 35 224.300 3579211.5 29 241.300 851486.0 7 //