MassBank Record: KO002330



 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: KO002330
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-1900000000-e71bf6837a5ea19ae1f5 PK$NUM_PEAK: 90 PK$PEAK: m/z int. rel.int. 30.100 108911.0 1 43.700 39604.0 1 44.000 64356.5 1 55.300 84158.5 1 58.400 400990.5 3 59.300 524753.0 4 60.900 9901.0 1 63.000 24752.5 1 67.000 44554.5 1 68.100 1529704.5 12 69.300 44554.5 1 70.000 44554.5 1 71.900 1618813.5 12 73.000 74257.5 1 74.200 113861.5 1 79.900 123762.5 1 80.800 193069.5 1 82.000 381188.5 3 83.400 1910893.0 14 84.100 366337.0 3 85.300 282178.5 2 86.200 54455.5 1 89.100 544555.0 4 90.100 138614.0 1 92.800 24752.5 1 95.000 7801988.0 59 96.000 21148536.0 159 97.000 8430701.5 64 97.900 133663.5 1 99.200 371287.5 3 100.800 19802.0 1 101.700 54455.5 1 102.100 202970.5 2 105.500 24752.5 1 106.700 648515.5 5 108.000 128713.0 1 109.100 132599142.5 999 110.300 1306932.0 10 111.100 1554457.0 12 112.100 2321784.5 17 115.400 346535.0 3 119.200 69307.0 1 121.100 252475.5 2 122.200 767327.5 6 123.200 623763.0 5 124.100 7099017.0 53 125.200 1717823.5 13 126.200 34747559.5 262 127.800 84158.5 1 133.100 391089.5 3 134.000 217822.0 2 135.200 2891092.0 22 136.300 653466.0 5 138.100 742575.0 6 138.900 123762.5 1 140.300 138614.0 1 144.000 84158.5 1 145.100 39604.0 1 146.300 49505.0 1 147.100 14851.5 1 147.900 663367.0 5 149.200 207921.0 2 150.300 6277234.0 47 151.300 599010.5 5 152.000 633664.0 5 153.100 20762397.0 156 153.900 89109.0 1 156.200 247525.0 2 162.000 247525.0 2 163.300 89109.0 1 164.600 14851.5 1 166.100 633664.0 5 168.200 5247530.0 40 170.300 35732709.0 269 177.200 19802.0 1 178.500 237624.0 2 179.300 1589110.5 12 180.200 4886143.5 37 181.000 19802.0 1 194.300 1539605.5 12 195.300 297030.0 2 196.000 99010.0 1 197.400 2143566.5 16 197.900 64356.5 1 206.500 292079.5 2 212.200 2039606.0 15 223.300 143564.5 1 224.200 4049509.0 31 240.300 24752.5 1 241.200 5242579.5 39 //