MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000269

4-HEPTANONE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000269
RECORD_TITLE: 4-HEPTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

---

CH$NAME: 4-HEPTANONE
CH$NAME: DIPROPYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O
CH$EXACT_MASS: 114.10447
CH$SMILES: CCCC(=O)CCC
CH$IUPAC: InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY HCFAJYNVAYBARA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047650

---

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-87f6dc51de91b8902d69
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 2.2 22
  26 1.5 15
  27 21.7 217
  28 0.31 3
  29 3.7 37
  39 10.5 105
  40 1.5 15
  41 2.33 23
  42 4.2 42
  43 99.99 999
  44 3.4 34
  55 0.26 3
  57 2.1 21
  58 6.8 68
  70 1.5 15
  71 8.54 85
  72 4 40
  86 1.4 14
  99 2.2 22
  114 1.5 15
  115 1.5 15
//