MassBank Record: KO002373



 Ampicillin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002373
RECORD_TITLE: Ampicillin; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 350 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-1349000000-51be76a1d965184221c8 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 82.000 24752.5 11 90.100 529703.5 238 110.500 24752.5 11 117.900 69307.0 31 133.400 222772.5 100 134.000 148515.0 67 134.900 34653.5 16 163.100 495050.0 222 165.900 9901.0 4 171.200 292079.5 131 180.100 44554.5 20 202.500 49505.0 22 217.100 79208.0 36 218.100 69307.0 31 223.000 19802.0 9 224.700 24752.5 11 234.400 74257.5 33 235.300 118812.0 53 243.600 212871.5 96 244.400 34653.5 16 252.500 267327.0 120 260.300 128713.0 58 261.500 94059.5 42 269.300 24752.5 11 274.700 19802.0 9 277.400 14851.5 7 278.200 74257.5 33 289.900 64356.5 29 292.400 44554.5 20 300.700 49505.0 22 301.500 356436.0 160 308.100 301980.5 136 333.500 108911.0 49 350.500 2222774.5 999 //