MassBank Record: KO000229



 L-Anserine; 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: KO000229
RECORD_TITLE: L-Anserine; 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014r-0950000000-27db9dc4c4fbe3889f7d PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 58.200 1267328.0 17 62.000 44554.5 1 70.000 128713.0 2 87.100 4663371.0 62 95.400 292079.5 4 96.700 24752.5 1 98.700 84158.5 1 107.000 183168.5 2 112.800 74257.5 1 137.200 69307.0 1 144.300 99010.0 1 149.400 39604.0 1 151.000 2262378.5 30 157.400 74257.5 1 166.100 18688137.5 249 168.000 74851560.0 999 178.100 767327.5 10 179.300 19802.0 1 181.800 9901.0 1 192.400 24752.5 1 195.200 4237628.0 57 197.200 54455.5 1 205.200 138614.0 2 206.100 866337.5 12 221.600 84158.5 1 222.300 247525.0 3 223.300 633664.0 8 239.300 56361442.5 752 //