MassBank Record: KO000230



 L-Anserine; 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: KO000230
RECORD_TITLE: L-Anserine; 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 A140

CH$NAME: Anserine CH$NAME: beta-Alanyl-N(pi)-methyl-L-histidine CH$NAME: L-Anserine CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H16N4O3 CH$EXACT_MASS: 240.12224 CH$SMILES: NCCC(=O)N[C@H](C(O)=O)Cc(c1)n(C)cn1 CH$IUPAC: InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1 CH$LINK: CAS 584-85-0 CH$LINK: CHEBI 18323 CH$LINK: KEGG C01262 CH$LINK: NIKKAJI J28.566H CH$LINK: PUBCHEM SID:4481
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-3900000000-e84dedef4aec4619ea23 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 39.800 9901.0 1 42.100 108911.0 3 58.100 12188131.0 342 59.100 44554.5 1 70.000 792080.0 22 70.900 29703.0 1 72.000 579208.5 16 81.200 123762.5 3 81.500 24752.5 1 83.800 44554.5 1 87.400 3202973.5 90 90.700 59406.0 2 94.900 1222773.5 34 97.300 108911.0 3 101.100 64356.5 2 107.000 1277229.0 36 110.000 29703.0 1 113.000 24752.5 1 121.200 44554.5 1 121.800 34653.5 1 122.400 39604.0 1 123.600 34653.5 1 131.900 252475.5 7 132.600 103960.5 3 136.900 326733.0 9 144.500 64356.5 2 147.300 24752.5 1 149.400 113861.5 3 150.000 217822.0 6 151.100 6485155.0 182 157.000 14851.5 1 166.300 5806936.5 163 168.000 35608946.5 999 175.500 247525.0 7 178.300 648515.5 18 195.000 366337.0 10 197.200 163366.5 5 206.500 752476.0 21 221.000 24752.5 1 223.000 371287.5 10 239.200 737624.5 21 //