ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008530
RECORD_TITLE: PARA-METHYLBENZYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PARA-METHYLBENZYL FORMATE
CH$NAME: FORMIC ACID PARA-METHYLBENZYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: O=COCc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H10O2/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5,7H,6H2,1H3
CH$LINK: INCHIKEY MWCCNIVWHAWABQ-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0zfr-5900000000-5fcd73d048c2ef5274d1
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 6.9 69
  29 13.38 134
  31 1.56 16
  38 1.6 16
  39 14.07 141
  40 1.24 12
  41 3.12 31
  50 5.49 55
  51 12.19 122
  52 3.97 40
  53 4.19 42
  62 2.59 26
  63 8.66 87
  64 1.72 17
  65 13.37 134
  66 1.12 11
  74 1.42 14
  75 1.13 11
  76 1.27 13
  77 29.92 299
  78 24.93 249
  79 19.88 199
  80 1.01 10
  89 4.31 43
  90 1.36 14
  91 19.61 196
  92 1.82 18
  93 6.46 65
  102 1.86 19
  103 24.14 241
  104 80.54 805
  105 99.99 999
  106 8.37 84
  107 18.56 186
  108 1.19 12
  119 3.17 32
  121 5.48 55
  122 9.63 96
  150 65.28 653
  151 6.84 68
//