MassBank Record: KO000232



 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: KO000232
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9100000000-ba9e7059390379c35b34 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 41.200 118812.0 16 42.200 1376239.0 183 53.900 34653.5 5 57.400 59406.0 8 58.200 7514859.0 999 62.100 19802.0 3 67.000 34653.5 5 70.000 227723.0 30 72.100 732674.0 97 74.800 118812.0 16 76.400 44554.5 6 78.900 29703.0 4 80.100 44554.5 6 81.100 371287.5 49 86.800 39604.0 5 90.100 19802.0 3 93.000 24752.5 3 95.000 39604.0 5 104.900 64356.5 9 107.400 480198.5 64 117.300 39604.0 5 131.900 103960.5 14 133.000 59406.0 8 148.900 19802.0 3 149.200 14851.5 2 151.200 450495.5 60 168.100 207921.0 28 190.200 29703.0 4 //