MassBank Record: KO000289



 N-Acetylmuramic acid; 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: KO000289
RECORD_TITLE: N-Acetylmuramic acid; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 292 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9000000000-55e3ebaf861e8b735486 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 55.100 89109.0 12 58.000 168317.0 23 59.000 69307.0 10 68.100 658416.5 91 83.400 891090.0 123 89.100 7227730.0 999 112.300 39604.0 5 142.200 420792.5 58 //