MassBank Record: KO000231



 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: KO000231
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9500000000-91673df79b5fb9e1373b PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 42.100 737624.5 53 45.000 24752.5 2 58.200 13836647.5 999 61.800 14851.5 1 70.000 623763.0 45 72.200 1262377.5 91 75.100 99010.0 7 79.300 34653.5 3 81.100 331683.5 24 84.200 29703.0 2 87.100 712872.0 51 91.100 49505.0 4 92.800 14851.5 1 95.400 381188.5 28 99.300 24752.5 2 106.300 24752.5 2 107.100 1707922.5 123 110.500 44554.5 3 116.000 24752.5 2 116.800 29703.0 2 119.900 14851.5 1 122.200 99010.0 7 132.100 470297.5 34 133.100 163366.5 12 137.100 128713.0 9 144.800 19802.0 1 149.100 89109.0 6 150.000 153465.5 11 151.200 3648518.5 263 166.200 158416.0 11 168.200 4029707.0 291 205.400 54455.5 4 206.200 183168.5 13 207.000 29703.0 2 222.700 49505.0 4 238.900 14851.5 1 //