MassBank Record: KO002374



 Ampicillin; 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: KO002374
RECORD_TITLE: Ampicillin; 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 350 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9810000000-75530784e97a116633e5 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 72.200 69307.0 39 87.000 19802.0 11 90.100 1762378.0 999 102.500 24752.5 14 111.500 24752.5 14 116.200 69307.0 39 117.300 44554.5 25 118.000 54455.5 31 127.200 69307.0 39 129.300 34653.5 20 130.400 24752.5 14 133.000 128713.0 73 134.200 64356.5 36 135.100 29703.0 17 145.500 34653.5 20 163.300 752476.0 427 170.900 153465.5 87 176.100 69307.0 39 180.300 69307.0 39 185.600 9901.0 6 193.900 9901.0 6 200.400 24752.5 14 207.500 14851.5 8 218.700 34653.5 20 224.500 24752.5 14 227.000 34653.5 20 242.800 54455.5 31 244.300 19802.0 11 263.200 34653.5 20 268.500 14851.5 8 272.700 19802.0 11 292.500 118812.0 67 301.700 19802.0 11 307.800 19802.0 11 318.500 39604.0 22 333.600 19802.0 11 350.400 24752.5 14 407.600 39604.0 22 425.600 19802.0 11 426.600 39604.0 22 439.400 24752.5 14 439.700 24752.5 14 //