MassBank Record: KO002364



 N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002364
RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:20 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 294 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0910000000-5c3a9f9f979ccddac74d PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 57.000 34653.5 3 69.000 89109.0 7 77.900 19802.0 1 81.500 39604.0 3 84.200 247525.0 18 96.000 59406.0 4 97.200 69307.0 5 98.200 470297.5 35 101.000 103960.5 8 108.700 84158.5 6 109.400 123762.5 9 111.100 84158.5 6 113.400 29703.0 2 114.900 133663.5 10 123.900 49505.0 4 125.300 19802.0 1 126.100 4495054.0 333 127.000 168317.0 12 132.600 34653.5 3 134.000 9901.0 1 138.200 13475261.0 999 139.900 64356.5 5 140.800 89109.0 7 144.100 2410893.5 179 145.200 163366.5 12 152.200 24752.5 2 155.900 59406.0 4 157.300 168317.0 12 161.000 202970.5 15 162.200 797030.5 59 168.100 9178227.0 680 171.000 316832.0 23 186.400 9747534.5 723 189.200 19802.0 1 192.100 19802.0 1 197.300 1009902.0 75 203.300 524753.0 39 204.300 341584.5 25 205.000 24752.5 2 216.300 34653.5 3 221.300 257426.0 19 222.200 222772.5 17 225.300 460396.5 34 231.100 34653.5 3 233.900 19802.0 1 234.300 49505.0 4 241.600 29703.0 2 276.200 5490104.5 407 277.500 128713.0 10 294.300 559406.5 41 //