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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)

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: 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
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  78 24 24
  80 39 39
  83 20 20
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  98 392 392
  100 27 27
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  111 12 12
  116 63 63
  130 98 98
  140 8 8
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  177 8 8
  179 16 16
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  192 20 20
  203 20 20
  205 35 35
  206 20 20
  208 43 43
  220 8 8
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  249 118 118
  250 12 12
//

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