MassBank Record: JP008801



 HEPTANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP008801
RECORD_TITLE: HEPTANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , UOEH
LICENSE: CC BY-NC-SA

CH$NAME: HEPTANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H16F5NO CH$EXACT_MASS: 309.11521 CH$SMILES: CCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1 CH$IUPAC: InChI=1S/C14H16F5NO/c1-2-3-4-5-6-7-20-21-8-9-10(15)12(17)14(19)13(18)11(9)16/h7H,2-6,8H2,1H3/b20-7- CH$LINK: INCHIKEY OZZBQOMRSSEYJF-SCDVKCJHSA-N
AC$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: splash10-001i-5920000000-74fca531d030c6ca1992 PK$NUM_PEAK: 77 PK$PEAK: m/z int. rel.int. 41 21.17 212 42 3.56 36 43 16.45 165 44 1.57 16 45 0.42 4 46 0.96 10 51 0.9 9 52 0.44 4 53 1.36 14 54 2.25 23 55 7.63 76 56 2.54 25 57 2.82 28 58 2.76 28 59 0.42 4 60 0.53 5 67 1.15 12 68 1.53 15 69 3.89 39 70 1.03 10 71 1.31 13 72 1.08 11 75 1.01 10 79 0.61 6 80 0.59 6 81 1.46 15 82 3.45 35 83 1.83 18 84 0.59 6 86 0.98 10 93 1.79 18 95 1.87 19 96 0.6 6 97 1.47 15 98 1.04 10 99 2.44 24 100 1.4 14 111 0.54 5 112 0.99 10 117 2.31 23 119 1.78 18 128 4.47 45 129 0.54 5 131 1.17 12 137 0.57 6 143 0.79 8 149 0.82 8 150 1.24 12 155 0.94 9 161 3.77 38 162 0.84 8 163 0.5 5 167 2.25 23 168 1.02 10 169 0.64 6 176 0.54 5 177 2.36 24 178 1.05 11 179 0.68 7 181 99.99 999 182 7.16 72 189 0.54 5 190 0.62 6 194 0.9 9 195 3 30 196 0.99 10 197 1.37 14 198 1.58 16 202 1.39 14 207 6.53 65 208 0.82 8 219 0.88 9 222 3.58 36 239 29.95 300 240 2.94 29 252 1.21 12 281 0.78 8 //