ACCESSION: MSBNK-Waters-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: CC BY-NC

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$LINK: CAS 81412-43-3
CH$LINK: INCHIKEY YTOPFCCWCSOHFV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3041376

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
//