ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002159
RECORD_TITLE: 4-BUTOXYBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 4-BUTOXYBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₃
CH$EXACT_MASS: 208.10994
CH$SMILES: CCCCOc(c1)ccc(c1)C(=O)OC
CH$IUPAC: InChI=1S/C12H16O3/c1-3-4-9-15-11-7-5-10(6-8-11)12(13)14-2/h5-8H,3-4,9H2,1-2H3
CH$LINK: INCHIKEY PUHCYTHGLBCWEA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40401012

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0fk9-2900000000-e801d65bf9c649a513fe
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  45 1.5 15
  50 4.8 48
  51 2.7 27
  53 0.15 2
  55 3.3 33
  56 3.9 39
  57 9 90
  63 0.42 4
  64 4.8 48
  65 14.1 141
  66 1.5 15
  67 0.24 2
  70 2.1 21
  75 1.5 15
  76 4.2 42
  77 0.12 1
  79 1.2 12
  82 1.2 12
  91 2.7 27
  92 0.72 7
  93 15 150
  94 1.5 15
  95 1.5 15
  103 0.27 3
  107 2.1 21
  109 1.5 15
  115 1.5 15
  119 0.15 2
  120 4.2 42
  121 96.9 969
  122 16.2 162
  123 0.3 3
  124 1.2 12
  135 1.8 18
  136 1.5 15
  141 0.15 2
  147 1.2 12
  150 1.2 12
  151 7.8 78
  152 99.99 999
  153 9.3 93
  165 1.8 18
  177 8.7 87
  208 3.49 35
  209 4.2 42
  210 1.5 15
//