MassBank Record: KO002376



 Ampicillin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002376
RECORD_TITLE: Ampicillin; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 350 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-006x-9300000000-766d3a6fea596a3f18a8 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 39.100 19802.0 26 69.100 44554.5 58 70.300 84158.5 110 72.200 316832.0 412 82.100 69307.0 90 83.800 29703.0 39 85.300 29703.0 39 90.300 767327.5 999 99.200 59406.0 77 100.500 19802.0 26 111.000 44554.5 58 116.400 44554.5 58 117.300 34653.5 45 127.200 153465.5 200 128.300 207921.0 271 163.100 94059.5 122 176.000 14851.5 19 224.600 29703.0 39 228.600 14851.5 19 263.300 64356.5 84 //