MassBank Record: KO003072



 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: KO003072
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: 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03yi-9300000000-cb8906cb50227e7ec5b5 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 41.000 262376.5 15 44.000 29703.0 2 56.200 584159.0 34 58.100 49505.0 3 58.900 19802.0 1 66.100 178218.0 10 67.000 103960.5 6 68.000 3099013.0 178 69.200 6995056.5 401 71.100 39604.0 2 76.800 19802.0 1 81.100 1445546.0 83 82.200 1970299.0 113 83.200 14094073.5 808 84.900 183168.5 11 85.300 247525.0 14 86.300 3321785.5 191 90.800 14851.5 1 93.100 7287136.0 418 95.100 6326739.0 363 97.300 94059.5 5 98.200 44554.5 3 105.900 49505.0 3 108.100 64356.5 4 109.400 148515.0 9 110.300 17415859.0 999 111.300 222772.5 13 117.800 29703.0 2 120.700 24752.5 1 122.100 49505.0 3 131.800 44554.5 3 133.100 54455.5 3 135.200 24752.5 1 135.900 89109.0 5 150.000 39604.0 2 151.200 24752.5 1 160.300 89109.0 5 178.400 19802.0 1 //