MassBank Record: KO001621



 Piperacillin; 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: KO001621
RECORD_TITLE: Piperacillin; 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 P039

CH$NAME: Piperacillin CH$NAME: Pipracil CH$NAME: Piperacillin sodium CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H27N5O7S CH$EXACT_MASS: 517.16312 CH$SMILES: CCN(C4)C(=O)C(=O)N(C4)C(=O)NC(c(c3)cccc3)C(=O)NC(C(=O)1)C(S2)N1C(C(O)=O)C(C)(C)2 CH$IUPAC: InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1 CH$LINK: CAS 59703-84-3 CH$LINK: KEGG C07361 CH$LINK: NIKKAJI J18.443H CH$LINK: PUBCHEM SID:9565
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 516 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0096000000-b0dafe2b22b2f860c497 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 113.200 108911.0 5 141.000 688119.5 34 172.900 74257.5 4 175.100 34653.5 2 187.500 138614.0 7 188.500 108911.0 5 189.900 89109.0 4 229.500 39604.0 2 233.200 20405961.0 999 237.300 34653.5 2 239.000 440594.5 22 239.500 74257.5 4 247.100 14851.5 1 252.900 39604.0 2 270.300 628713.5 31 287.300 247525.0 12 312.000 79208.0 4 313.300 59406.0 3 330.400 14544569.0 712 352.400 247525.0 12 374.100 227723.0 11 375.300 371287.5 18 384.200 19802.0 1 427.300 74257.5 4 438.900 29703.0 1 471.500 123762.5 6 472.500 113861.5 6 485.300 19802.0 1 516.400 386139.0 19 661.100 39604.0 2 //