MassBank Record: WA000111



 Tridemorph; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000111
RECORD_TITLE: Tridemorph; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Tridemorph CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H39NO CH$EXACT_MASS: 297.30316 CH$SMILES: CCCCCCCCCCCCCN(C1)CC(C)OC(C)1 CH$IUPAC: InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3 CH$LINK: CAS 81412-43-3
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: PRECURSOR_M/Z 298.38 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-9100000000-231057dab4b93850982c PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 55 71 71 57 999 999 58 176 176 68 12 12 69 82 82 71 321 321 73 192 192 74 16 16 78 24 24 80 39 39 83 20 20 85 67 67 87 35 35 95 8 8 98 392 392 100 27 27 102 43 43 111 12 12 116 63 63 130 98 98 140 8 8 164 8 8 177 8 8 179 16 16 180 8 8 191 27 27 192 20 20 203 20 20 205 35 35 206 20 20 208 43 43 220 8 8 225 8 8 249 118 118 250 12 12 //