MassBank Record: KO002332



 L-Anserine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002332
RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052b-9400000000-b0638c52935c0be5bbd2 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 30.000 207921.0 7 41.200 301980.5 11 42.200 158416.0 6 44.000 183168.5 7 54.000 227723.0 8 55.100 737624.5 26 56.200 668317.5 24 58.200 123762.5 4 59.000 168317.0 6 65.100 217822.0 8 66.100 584159.0 21 67.000 1633665.0 58 68.100 9074266.5 324 68.900 108911.0 4 70.000 351485.5 13 72.000 599010.5 21 73.000 44554.5 2 73.900 158416.0 6 77.900 54455.5 2 78.900 29703.0 1 80.200 1143565.5 41 81.100 2103962.5 75 82.100 2336636.0 83 83.200 2653468.0 95 84.100 99010.0 4 85.400 84158.5 3 86.300 133663.5 5 92.100 381188.5 14 93.300 183168.5 7 94.300 262376.5 9 95.200 16331699.5 584 96.100 27960424.0 999 97.000 5816837.5 208 99.000 168317.0 6 107.200 3054458.5 109 108.000 202970.5 7 109.300 26782205.0 957 110.100 193069.5 7 111.300 1044555.5 37 112.000 94059.5 3 120.000 24752.5 1 121.000 277228.0 10 123.400 272277.5 10 124.200 821783.0 29 125.100 500000.5 18 126.000 900991.0 32 133.200 84158.5 3 134.000 69307.0 2 134.900 1455447.0 52 138.200 34653.5 1 148.100 202970.5 7 150.300 168317.0 6 152.300 34653.5 1 153.100 891090.0 32 170.100 74257.5 3 //