MassBank Record: KO002377



 Ampicillin; 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: KO002377
RECORD_TITLE: Ampicillin; 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 A197

CH$NAME: Ampicillin CH$NAME: Anhydrous ampicillin CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H19N3O4S CH$EXACT_MASS: 349.10963 CH$SMILES: c(c3)ccc(c3)C(N)C(=O)NC(C(=O)1)C(S2)N1C(C(O)=O)C(C)(C)2 CH$IUPAC: InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 CH$LINK: CAS 69-53-4 CH$LINK: KEGG C06574 CH$LINK: NIKKAJI J4.515B CH$LINK: PUBCHEM SID:8803
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 350 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9100000000-147bdc3aaa0be3d0b419 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 70.100 118812.0 500 71.000 54455.5 229 72.100 237624.0 999 73.700 14851.5 62 81.400 19802.0 83 82.200 99010.0 416 86.500 29703.0 125 89.900 143564.5 604 116.500 29703.0 125 124.500 19802.0 83 127.900 34653.5 146 //