ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008805
RECORD_TITLE: UNDECANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: UNDECANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₄F₅NO
CH$EXACT_MASS: 365.17781
CH$SMILES: CCCCCCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C18H24F5NO/c1-2-3-4-5-6-7-8-9-10-11-24-25-12-13-14(19)16(21)18(23)17(22)15(13)20/h11H,2-10,12H2,1H3/b24-11-
CH$LINK: INCHIKEY XJDXRHQPJGTNHN-MYKKPKGFSA-N

AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-001l-9830000000-9dec79c43e9711920c31
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  41 26.95 270
  42 4.67 47
  43 25.25 253
  44 2.1 21
  54 5.02 50
  55 14.88 149
  56 6.02 60
  57 11.11 111
  58 2.14 21
  67 3 30
  68 2.52 25
  69 9.56 96
  70 2.62 26
  71 3.29 33
  79 2.19 22
  81 3.86 39
  82 5.59 56
  83 7.61 76
  85 2.04 20
  86 1.95 20
  93 2.31 23
  95 2.98 30
  96 5.45 55
  97 6.31 63
  98 3.18 32
  99 4.21 42
  110 3.99 40
  111 2.23 22
  117 2.55 26
  119 2.22 22
  124 2.94 29
  149 1.65 17
  150 3.01 30
  161 4.25 43
  167 2.45 25
  168 2.53 25
  177 4.58 46
  178 2.44 24
  181 99.99 999
  182 7.78 78
  184 7.14 71
  194 1.62 16
  195 3.84 38
  196 1.85 19
  197 2.47 25
  198 4.77 48
  202 1.6 16
  207 7.42 74
  222 4.72 47
  239 38.06 381
  240 4.08 41
  252 1.98 20
//