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MassBank Record: WA000110

Tridemorph; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000110
RECORD_TITLE: Tridemorph; LC-ESI-QQ; MS2; CE:30 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 30 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$SPLASH: splash10-0ac1-9320000000-a88bcf8ad2fc6abcd791
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  55 47 47
  57 999 999
  58 110 110
  68 8 8
  69 51 51
  71 615 615
  72 165 165
  78 8 8
  80 31 31
  83 16 16
  85 235 235
  86 12 12
  87 35 35
  95 8 8
  98 623 623
  100 16 16
  102 63 63
  112 71 71
  113 12 12
  116 259 259
  117 8 8
  128 12 12
  130 780 780
  131 12 12
  194 8 8
  205 8 8
  207 12 12
  240 31 31
  249 98 98
  250 27 27
  265 125 125
  267 8 8
  281 39 39
  298 458 458
  299 47 47
//

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