MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009712

TRIMETHLOLETHANE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009712
RECORD_TITLE: TRIMETHLOLETHANE; 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$NAME: TRIMETHLOLETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O₃
CH$EXACT_MASS: 120.07864
CH$SMILES: OCC(C)(CO)CO
CH$IUPAC: InChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3
CH$LINK: INCHIKEY QXJQHYBHAIHNGG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026444

---

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$SPLASH: splash10-05fu-9000000000-973877125333c920d730
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 4.14 41
  29 5.69 57
  31 15.38 154
  39 3.19 32
  41 32.6 326
  42 2.94 29
  43 39.75 398
  44 5.02 50
  45 2.46 25
  47 3.01 30
  53 1.78 18
  54 7.72 77
  55 4.58 46
  56 14.94 149
  57 88.77 888
  58 4.56 46
  59 9.43 94
  71 20.37 204
  72 99.99 999
  73 5.54 55
  83 1.63 16
  84 3.05 31
  89 1.04 10
//