MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008853

1,3,5-TRIOXANE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008853
RECORD_TITLE: 1,3,5-TRIOXANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

---

CH$NAME: 1,3,5-TRIOXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆O₃
CH$EXACT_MASS: 90.03169
CH$SMILES: C(O1)OCOC1
CH$IUPAC: InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
CH$LINK: INCHIKEY BGJSXRVXTHVRSN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021925

---

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-001i-9000000000-da09301d959dfad0cdf5
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  18 3.74 37
  28 7.56 76
  29 14.81 148
  30 4.66 47
  31 99.99 999
  32 7.63 76
  41 1.53 15
  43 2.21 22
  55 1.45 15
  57 1.76 18
  61 35.27 353
  89 18.93 189
//