MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007584

3-TETRADECANONE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007584
RECORD_TITLE: 3-TETRADECANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

---

CH$NAME: 3-TETRADECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O
CH$EXACT_MASS: 212.21402
CH$SMILES: CCCCCCCCCCCC(=O)CC
CH$IUPAC: InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3-13H2,1-2H3
CH$LINK: CAS 629-23-2
CH$LINK: INCHIKEY OCHYRSKMMMYUMI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30212073

---

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$SPLASH: splash10-05fu-9100000000-d518f223ed044f0cd6b6
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  41 40.45 405
  43 53.06 531
  55 24.73 247
  57 98.5 985
  72 99.99 999
  73 30.64 306
  83 5.82 58
  85 30.64 306
  95 6.32 63
  99 4.11 41
  109 4.01 40
  114 1.71 17
  123 1.41 14
  183 33.14 331
  184 4.51 45
  212 2.71 27
//