ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008910
RECORD_TITLE: 6-UNDECANONE; 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$NAME: 6-UNDECANONE
CH$NAME: DIPENTYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCC(=O)CCCCC
CH$IUPAC: InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3
CH$LINK: COMPTOX DTXSID5061295
CH$LINK: INCHIKEY ZPQAKYPOZRXKFA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13561

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$SPLASH: splash10-05bg-9000000000-22e85b5da08a296e5364
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 1.3 13
  26 1.1 11
  27 21.5 215
  28 0.55 6
  29 31 310
  39 11.5 115
  40 2.1 21
  41 3.09 31
  42 7.1 71
  43 99.99 999
  44 3.2 32
  53 0.31 3
  54 1.2 12
  55 14.5 145
  56 2.6 26
  57 0.36 4
  58 50.7 507
  59 16.2 162
  67 1.8 18
  69 0.19 2
  70 1.8 18
  71 49.8 498
  72 10.5 105
  81 0.19 2
  83 1.2 12
  85 6.5 65
  86 1.6 16
  96 0.19 2
  98 1.3 13
  99 58.5 585
  100 4.4 44
  114 1.21 12
  115 3.2 32
  127 6.9 69
  128 1.3 13
  141 0.12 1
  170 8.4 84
  171 1.6 16
//