MassBank Record: KO000981



 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: KO000981
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: 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-4900000000-499817ec7737f4f71264 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 35.200 54455.5 15 67.000 89109.0 24 72.200 59406.0 16 79.300 19802.0 5 79.800 282178.5 76 81.100 935644.5 251 84.400 257426.0 69 90.700 19802.0 5 93.100 688119.5 185 101.100 262376.5 70 108.000 143564.5 39 110.000 3722776.0 999 115.700 29703.0 8 118.300 34653.5 9 136.200 113861.5 31 137.300 301980.5 81 141.200 242574.5 65 153.900 460396.5 124 206.500 430693.5 116 //