WA000024.txt

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: CC BY-NC
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$LINK: CAS 140923-25-7
CH$LINK: INCHIKEY NWUWYYSKZYIQAE-ZBFHGGJFSA-N
CH$LINK: COMPTOX DTXSID00872406
AC$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
//