ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001859
RECORD_TITLE: 3-PENTADECANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA
CH$NAME: 3-PENTADECANOL
CH$NAME: ALPHA-ETHYLTRIDECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H32O
CH$EXACT_MASS: 228.24532
CH$SMILES: CCCCCCCCCCCCC(O)CC
CH$IUPAC: InChI=1S/C15H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h15-16H,3-14H2,1-2H3
CH$LINK: INCHIKEY WVZVEGVDRAOXNT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70338221
AC$INSTRUMENT: SHIMADZU QP-1000
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: splash10-0a4l-9000000000-733e47707224bbd2128a
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  41 61.4 614
  42 11.3 113
  43 50.7 507
  44 4.1 41
  45 2.4 24
  53 2.5 25
  54 3.3 33
  55 39.6 396
  56 9.7 97
  57 36.2 362
  58 14.7 147
  59 99.99 999
  60 3.2 32
  67 5.1 51
  68 2.4 24
  69 27 270
  70 5.7 57
  71 8.4 84
  72 2.8 28
  73 1 10
  81 2.6 26
  82 2 20
  83 19.2 192
  84 3 30
  85 4.8 48
  95 1.1 11
  96 1.2 12
  97 16.4 164
  98 2 20
  99 1.1 11
  111 9.5 95
  112 1.2 12
  125 4.1 41
  199 7.5 75
//
