MassBank Record: KO002328



 L-Anserine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002328
RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-0090000000-5545eb5f0143bc37b54c PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 80.200 54455.5 1 109.400 356436.0 1 120.700 113861.5 1 124.300 198020.0 1 126.100 306931.0 1 137.100 19802.0 1 149.100 69307.0 1 150.200 113861.5 1 151.200 14851.5 1 153.300 227723.0 1 154.800 19802.0 1 159.100 19802.0 1 162.000 108911.0 1 163.800 29703.0 1 168.300 287129.0 1 170.100 1584160.0 3 177.200 158416.0 1 178.300 247525.0 1 179.000 143564.5 1 180.200 297030.0 1 180.900 84158.5 1 188.100 19802.0 1 192.100 84158.5 1 194.300 193069.5 1 195.400 44554.5 1 197.100 1257427.0 2 204.100 39604.0 1 206.200 544555.0 1 208.900 163366.5 1 212.100 326733.0 1 223.400 381188.5 1 224.100 3811885.0 6 241.300 601946146.5 999 242.200 212871.5 1 259.000 24752.5 1 //