MassBank Record: KO002331



 L-Anserine; 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: KO002331
RECORD_TITLE: L-Anserine; 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4j-6900000000-6bd2b1370f1c571d407c PK$NUM_PEAK: 75 PK$PEAK: m/z int. rel.int. 30.200 292079.5 3 41.000 59406.0 1 42.000 44554.5 1 43.200 69307.0 1 43.800 227723.0 2 55.200 470297.5 5 56.200 316832.0 3 58.100 321782.5 3 59.000 549505.5 6 64.900 143564.5 2 65.900 178218.0 2 67.000 569307.5 6 68.000 7079215.0 75 68.900 103960.5 1 70.300 133663.5 1 71.800 1148516.0 12 73.700 277228.0 3 80.100 618812.5 7 81.000 1079209.0 11 82.100 2168319.0 23 83.100 3500003.5 37 84.300 297030.0 3 85.000 351485.5 4 86.100 227723.0 2 90.000 39604.0 1 92.300 351485.5 4 93.100 178218.0 2 94.300 272277.5 3 95.100 13430706.5 143 96.000 46143610.5 491 97.200 12173279.5 130 98.100 178218.0 2 98.900 415842.0 4 100.800 24752.5 1 101.300 14851.5 1 103.700 29703.0 1 105.800 79208.0 1 107.200 3287132.0 35 107.900 257426.0 3 109.200 93871381.0 999 110.100 737624.5 8 111.300 2915844.5 31 112.300 608911.5 6 115.100 54455.5 1 116.900 74257.5 1 118.100 39604.0 1 118.400 24752.5 1 120.100 44554.5 1 121.000 475248.0 5 122.100 341584.5 4 123.200 826733.5 9 124.300 3767330.5 40 125.000 1698021.5 18 126.100 10217832.0 109 133.000 480198.5 5 133.900 89109.0 1 135.200 4792084.0 51 136.000 108911.0 1 138.200 257426.0 3 140.000 64356.5 1 141.300 64356.5 1 148.100 628713.5 7 150.200 1381189.5 15 151.200 153465.5 2 152.300 237624.0 3 153.100 7351492.5 78 162.200 29703.0 1 162.900 34653.5 1 165.900 74257.5 1 168.200 232673.5 2 170.300 3594063.0 38 178.300 74257.5 1 179.300 74257.5 1 180.400 202970.5 2 194.100 54455.5 1 //