ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003860
RECORD_TITLE: PHENYLTOLOXAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: PHENYLTOLOXAMINE
CH$NAME: N,N-DIMETHYL-2-(2-(BENZYL)PHENOXY)ETHYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₁NO
CH$EXACT_MASS: 255.16231
CH$SMILES: CN(C)CCOc(c2)c(ccc2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
CH$LINK: INCHIKEY IZRPKIZLIFYYKR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023467

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9000000000-4846204db840aa67d3e1
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  39 0.9 9
  40 6.9 69
  41 0.9 9
  42 0.39 4
  43 1.9 19
  44 2.9 29
  45 0.9 9
  46 0.29 3
  50 0.4 4
  51 0.9 9
  54 0.4 4
  55 0.09 1
  56 2.9 29
  57 1.9 19
  58 99.99 999
  59 0.39 4
  70 1.4 14
  71 3.9 39
  72 4.9 49
  73 0.04 0
  76 0.4 4
  77 1.9 19
  78 1.9 19
  79 0.04 0
  90 0.4 4
  91 3.4 34
  92 0.4 4
  164 0.04 0
  165 1.9 19
  166 0.9 9
  167 0.4 4
  181 0.09 1
  182 0.4 4
  183 0.9 9
  184 1.9 19
  210 0.34 3
  211 0.4 4
  255 9.9 99
  256 1.9 19
//