MassBank Record: JP006275



 BENZYL BENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP006275
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H12O2 CH$EXACT_MASS: 212.08373 CH$SMILES: O=C(OCc(c2)cccc2)c(c1)cccc1 CH$IUPAC: InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 CH$LINK: CAS 120-51-4 CH$LINK: INCHIKEY SESFRYSPDFLNCH-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80 AC$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$SPLASH: splash10-056r-9300000000-b15752c1190b0242b115 PK$NUM_PEAK: 68 PK$PEAK: m/z int. rel.int. 13 1.03 10 14 5.63 56 15 9.97 100 28 58.71 587 29 18.49 185 30 2.33 23 31 26.85 269 32 21.45 215 37 0.97 10 38 2.11 21 39 10.29 103 40 1.21 12 41 6 60 42 1.37 14 43 3.11 31 44 1.48 15 45 0.65 7 49 0.6 6 50 11.24 112 51 27.73 277 52 5.73 57 53 1.53 15 55 2.41 24 56 1.19 12 57 1.82 18 58 1.43 14 62 1.62 16 63 5.02 50 64 1.71 17 65 13.98 140 66 1.07 11 67 0.74 7 69 7.53 75 70 1.24 12 71 1.29 13 72 0.6 6 73 0.95 10 74 2.87 29 75 1.9 19 76 3.26 33 77 46.07 461 78 6.99 70 79 12.07 121 80 0.93 9 81 0.66 7 83 0.76 8 84 0.62 6 85 0.69 7 89 6.61 66 90 7.52 75 91 56.09 561 92 5.47 55 105 99.99 999 106 9.27 93 107 7.99 80 108 1.53 15 119 2 20 131 1.81 18 165 1.64 16 166 0.66 7 167 5.83 58 168 0.94 9 169 1.59 16 181 1.02 10 194 5.72 57 195 0.86 9 212 33.05 331 213 6.05 61 //