MassBank Record: KO000291



 N-Acetylmuramic acid; 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: KO000291
RECORD_TITLE: N-Acetylmuramic acid; 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 A191

CH$NAME: N-Acetylmuramate CH$NAME: N-Acetylmuramic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H19NO8 CH$EXACT_MASS: 293.11107 CH$SMILES: OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 CH$LINK: CAS 61633-75-8 CH$LINK: KEGG C02713 CH$LINK: PUBCHEM SID:5676
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 292 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9000000000-88058a65b8efd6f05e46 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 43.100 188119.0 87 44.900 34653.5 16 55.100 143564.5 67 57.900 207921.0 96 59.100 54455.5 25 68.100 450495.5 209 71.300 29703.0 14 83.100 24752.5 11 86.800 19802.0 9 89.200 2153467.5 999 126.800 59406.0 28 //