MassBank Record: JP008812



 BENZALDEHYDE 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: JP008812
RECORD_TITLE: BENZALDEHYDE 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$NAME: BENZALDEHYDE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H8F5NO CH$EXACT_MASS: 301.05260 CH$SMILES: c(c2)ccc(c2)C=NOCc(c(F)1)c(F)c(F)c(F)c(F)1 CH$IUPAC: InChI=1S/C14H8F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)7-21-20-6-8-4-2-1-3-5-8/h1-6H,7H2/b20-6+ CH$LINK: INCHIKEY UKSAZCDAGVHMRF-CGOBSMCZSA-N
AC$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-7901000000-9dd18da2d981e1de5425 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 43 0.17 2 44 3.09 31 49 0.23 2 50 6.45 65 51 15.31 153 52 2.26 23 53 0.21 2 57 0.18 2 62 1.3 13 63 4.59 46 64 2.79 28 65 14.74 147 66 1.3 13 69 1.75 18 74 1.95 20 75 3.18 32 76 4.87 49 77 14.33 143 78 1.54 15 79 0.5 5 80 0.46 5 81 1.18 12 88 0.19 2 89 8.99 90 90 3.35 34 92 3.78 38 93 2.82 28 98 0.61 6 99 3.85 39 102 0.9 9 103 6.54 65 104 1.88 19 112 0.58 6 117 3.83 38 119 1.49 15 120 0.81 8 131 0.97 10 137 0.19 2 143 0.41 4 150 0.52 5 155 0.78 8 161 3.91 39 167 2.31 23 168 0.74 7 177 0.28 3 181 99.99 999 182 7.22 72 195 2.46 25 198 0.25 3 258 1.18 12 271 6.9 69 272 0.81 8 284 0.32 3 300 2.66 27 301 13.64 136 302 1.69 17 //