MassBank Record: WA000022



 Iprovalicarb; 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: WA000022
RECORD_TITLE: Iprovalicarb; LC-ESI-QQ; MS2; CE:10 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 10 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: splash10-0g4i-0789000000-a2c414845fa915199b37 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 116 8 8 118 20 20 119 513 513 120 8 8 135 8 8 136 55 55 144 47 47 185 8 8 186 231 231 202 8 8 203 987 987 204 27 27 320 24 24 321 999 999 323 51 51 //