MassBank Record: WA000024



 Iprovalicarb; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000024
RECORD_TITLE: Iprovalicarb; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Iprovalicarb CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H28N2O3 CH$EXACT_MASS: 320.20999 CH$SMILES: CC(C)OC(=O)NC(C(C)C)C(=O)NC(C)c(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14-,16+/m1/s1 CH$LINK: CAS 140923-25-7
AC$INSTRUMENT: QuattroPremier XE, Waters AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: PRECURSOR_M/Z 321.29 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0900000000-79a838f33734a4f7a230 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 116 290 290 118 16 16 119 999 999 120 24 24 144 35 35 158 8 8 //