ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008807
RECORD_TITLE: TRIDECANAL 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$NAME: TRIDECANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₈F₅NO
CH$EXACT_MASS: 393.20911
CH$SMILES: CCCCCCCCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C20H28F5NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-26-27-14-15-16(21)18(23)20(25)19(24)17(15)22/h13H,2-12,14H2,1H3/b26-13+
CH$LINK: INCHIKEY RBTHWMFPSLXCNJ-LGJNPRDNSA-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$SPLASH: splash10-001u-9740000000-15f38fa673bc4a96fe8c
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  41 32.56 326
  42 6.28 63
  43 32.12 321
  44 2.33 23
  46 1.52 15
  49 0.77 8
  51 0.9 9
  53 2.06 21
  54 4.28 43
  55 18.31 183
  56 7.18 72
  57 15.86 159
  58 3.36 34
  59 1.1 11
  67 3.95 40
  68 2.38 24
  69 10.93 109
  70 4.13 41
  71 5.15 52
  72 1.67 17
  75 1.22 12
  79 2.02 20
  80 1.28 13
  81 4.1 41
  82 5.54 55
  83 6.34 63
  84 2.68 27
  85 1.85 19
  86 1.59 16
  93 2.15 22
  95 3.12 31
  96 5.82 58
  97 7.67 77
  98 3.32 33
  99 3.57 36
  100 1.67 17
  109 1.53 15
  110 4.43 44
  111 3.04 30
  112 1.24 12
  117 2.33 23
  123 0.77 8
  124 2.4 24
  125 0.92 9
  130 0.69 7
  131 1.33 13
  137 0.62 6
  138 1.42 14
  149 1.14 11
  150 2.27 23
  151 0.85 9
  152 1.3 13
  161 3.34 33
  166 0.89 9
  167 2.15 22
  168 1.33 13
  169 1.19 12
  176 1.43 14
  177 4.43 44
  178 2.04 20
  179 1.22 12
  181 99.99 999
  182 7.3 73
  184 0.94 9
  189 0.76 8
  190 0.7 7
  194 2.59 26
  195 3.54 35
  196 2.4 24
  197 2.55 26
  198 3.94 39
  202 1.82 18
  207 8.25 83
  208 1.01 10
  212 12.25 123
  213 1.74 17
  219 1.45 15
  222 6.08 61
  226 1.19 12
  239 52.05 521
  240 5.16 52
  252 2.53 25
//