ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011116
RECORD_TITLE: 4-METHOXYBENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHOXYBENZYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₃
CH$EXACT_MASS: 242.09429
CH$SMILES: COc(c2)ccc(c2)COC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O3/c1-17-14-9-7-12(8-10-14)11-18-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
CH$LINK: INCHIKEY CSEIPVUFFJWROQ-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-00dl-7910000000-6aa8840715537cb1698b
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  27 3 30
  34 1 10
  38 1.4 14
  39 5.8 58
  40 18.6 186
  41 3.6 36
  43 2.8 28
  44 9.2 92
  45 3.9 39
  50 6.2 62
  51 17.6 176
  52 4.5 45
  53 1.9 19
  55 2.5 25
  57 2.8 28
  63 3.2 32
  64 2.2 22
  65 5.8 58
  66 1.7 17
  69 1.1 11
  71 2.2 22
  73 2 20
  74 1.8 18
  75 5.6 56
  76 3 30
  77 46.1 461
  78 15.4 154
  79 2.9 29
  85 1 10
  88 7.9 79
  89 5.4 54
  90 3.6 36
  91 25.3 253
  92 6.9 69
  93 1.9 19
  94 2.5 25
  101 3.6 36
  105 52.5 525
  106 5.8 58
  107 4.8 48
  109 5.7 57
  119 4 40
  120 24 240
  121 99.99 999
  122 16.9 169
  123 1.4 14
  135 7 70
  136 6.1 61
  137 26.6 266
  138 2.7 27
  149 2.2 22
  197 1.3 13
  242 46.6 466
  243 7.8 78
//