ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003366
RECORD_TITLE: TRIBUTOXYETHYL PHOSPHATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: TRIBUTOXYETHYL PHOSPHATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₉O₇P
CH$EXACT_MASS: 398.24334
CH$SMILES: CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
CH$IUPAC: InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
CH$LINK: INCHIKEY WTLBZVNBAKMVDP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021758

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9000000000-50d9f02d3d3832bffe69
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  44 11.1 111
  45 37.4 374
  46 2.2 22
  54 11.8 118
  55 37.9 379
  56 99.99 999
  57 4.6 46
  58 0.59 6
  59 9.8 98
  61 2.6 26
  62 6.3 63
  69 0.23 2
  71 10.2 102
  72 6.7 67
  73 7.7 77
  75 1.29 13
  85 12.2 122
  87 17.6 176
  88 2.3 23
  89 0.5 5
  99 9.6 96
  100 12.6 126
  101 6.7 67
  116 0.21 2
  125 2.1 21
  143 2.3 23
  155 4 40
  205 0.21 2
  211 3.2 32
  249 9.4 94
  251 6.4 64
//