ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009663
RECORD_TITLE: ETHYL 3-ACETYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 3-ACETYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₃
CH$EXACT_MASS: 192.07864
CH$SMILES: CCOC(=O)c(c1)cc(cc1)C(C)=O
CH$IUPAC: InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-5-9(7-10)8(2)12/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY KHTGDCLCPJJWEY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80461579

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$SPLASH: splash10-004m-8900000000-bdb8a159708e3206216a
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  26 3.8 38
  27 19.9 199
  29 22.2 222
  30 0.1 1
  38 2 20
  39 9 90
  40 1.1 11
  41 0.17 2
  42 2.2 22
  43 51.7 517
  44 3 30
  45 0.28 3
  50 28.8 288
  51 15.6 156
  52 3 30
  53 0.18 2
  62 2.7 27
  63 6.4 64
  64 1.7 17
  65 3.37 34
  66 5 50
  74 9.1 91
  75 14.8 148
  76 4.93 49
  77 20.2 202
  78 1.9 19
  89 4.8 48
  90 0.2 2
  91 25.8 258
  92 2.3 23
  93 2.9 29
  103 0.69 7
  104 15.5 155
  105 4.9 49
  119 9.7 97
  120 0.28 3
  121 20 200
  122 2.6 26
  147 37.8 378
  148 0.45 5
  149 45.2 452
  150 4 40
  164 1.8 18
  177 99.99 999
  178 11.6 116
  179 1 10
  192 34.1 341
  193 4.4 44
//