ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008808
RECORD_TITLE: TETRADECANAL 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$NAME: TETRADECANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₀F₅NO
CH$EXACT_MASS: 407.22476
CH$SMILES: CCCCCCCCCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C21H30F5NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-28-15-16-17(22)19(24)21(26)20(25)18(16)23/h14H,2-13,15H2,1H3/b27-14+
CH$LINK: INCHIKEY XGPWCYWECONRBN-MZJWZYIUSA-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$SPLASH: splash10-001u-9640000000-eb1ad779360798f25f91
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  41 34.16 342
  42 7.19 72
  43 35.88 359
  44 2.6 26
  46 1.51 15
  53 2.31 23
  54 4.57 46
  55 20.55 206
  56 8.16 82
  57 17.99 180
  58 2.95 30
  67 4.99 50
  68 2.79 28
  69 12.49 125
  70 5.76 58
  71 6.34 63
  72 1.95 20
  79 2.91 29
  80 1.34 13
  81 4.97 50
  82 6.09 61
  83 8.27 83
  84 3.11 31
  85 2.78 28
  86 1.7 17
  93 2.88 29
  95 3.39 34
  96 7.5 75
  97 9.88 99
  98 4.61 46
  99 4.13 41
  100 1.75 18
  110 6.31 63
  111 4.51 45
  112 1.56 16
  117 3.17 32
  119 2.39 24
  124 4.03 40
  131 1.51 15
  138 1.91 19
  149 1.7 17
  150 2.65 27
  151 1.27 13
  152 1.88 19
  161 3.6 36
  166 1.83 18
  167 2.9 29
  168 1.71 17
  176 1.47 15
  177 6.02 60
  178 2.53 25
  179 1.22 12
  181 99.99 999
  182 7.14 71
  194 1.93 19
  195 3.79 38
  196 1.96 20
  197 3.55 36
  198 5.65 57
  202 2.06 21
  207 9.59 96
  208 2.52 25
  210 1.91 19
  219 1.87 19
  222 6.45 65
  226 14.95 150
  227 2.55 26
  239 61.55 616
  240 6.89 69
  252 2.75 28
//