MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001666

PENTYL PHENYL KETONE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001666
RECORD_TITLE: PENTYL PHENYL KETONE; 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$NAME: PENTYL PHENYL KETONE
CH$NAME: HEXANO PHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O
CH$EXACT_MASS: 176.12012
CH$SMILES: CCCCCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
CH$LINK: INCHIKEY MAHPVQDVMLWUAG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061335

---

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$SPLASH: splash10-0ab9-4900000000-1e3541af840b16205cde
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 3.73 37
  29 2.78 28
  39 2.52 25
  41 3.13 31
  43 3.39 34
  50 2.17 22
  51 9.64 96
  55 3.39 34
  76 1.39 14
  77 43.75 438
  78 7.03 70
  91 1.74 17
  105 99.99 999
  106 7.64 76
  119 1.56 16
  120 53.73 537
  121 4.77 48
  133 4.69 47
  134 1.13 11
  176 2.08 21
//