MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010439

2,5-HEXADIONE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010439
RECORD_TITLE: 2,5-HEXADIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

---

CH$NAME: 2,5-HEXADIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
CH$LINK: INCHIKEY OJVAMHKKJGICOG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8030138

---

AC$INSTRUMENT: JEOL JMS-DX-303
AC$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$SPLASH: splash10-0006-9000000000-61efac74c40d64ce7b37
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  39 1.72 17
  41 1.44 14
  42 3.49 35
  43 99.99 999
  44 2.66 27
  53 1.29 13
  55 1.54 15
  57 8.07 81
  71 18.56 186
  72 3.99 40
  99 42.15 422
  100 2.52 25
  114 16.35 164
  115 1.21 12
//