ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009711
RECORD_TITLE: TRIMETHYLOLPROPANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: TRIMETHYLOLPROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O₃
CH$EXACT_MASS: 134.09429
CH$SMILES: CCC(CO)(CO)CO
CH$IUPAC: InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
CH$LINK: INCHIKEY ZJCCRDAZUWHFQH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026448

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4r-9000000000-3b6bff344c9a1394dfe7
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  29 17.23 172
  31 7.14 71
  39 1.34 13
  41 18.86 189
  42 3.7 37
  43 20.08 201
  44 13.26 133
  45 4.47 45
  47 2.16 22
  53 1.87 19
  54 1 10
  55 23.5 235
  56 4.29 43
  57 99.99 999
  58 9.71 97
  59 1.23 12
  61 2.01 20
  67 7.64 76
  68 14.17 142
  69 9.72 97
  70 11.86 119
  71 21.72 217
  72 1.91 19
  73 3.38 34
  83 5.37 54
  84 1 10
  85 8.63 86
  86 64.25 643
  87 4.43 44
  103 0.76 8
//