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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008311

3-PHENYLPROPIONIC ACID METHYL ESTER; EI-B; MS

Mass Spectrum
0.00050.00100.0150.0m/z0.000200.0400.0600.0800.01000Abundance
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008311
RECORD_TITLE: 3-PHENYLPROPIONIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: 3-PHENYLPROPIONIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: COC(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
CH$LINK: INCHIKEY RPUSRLKKXPQSGP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059271

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0udl-6900000000-e9a28be25660348684ac
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  15 5.43 54
  17 0.71 7
  18 1.09 11
  27 4.27 43
  29 0.78 8
  39 6.75 68
  41 0.84 8
  45 0.7 7
  50 3.8 38
  51 9.95 100
  52 2.77 28
  53 1.12 11
  55 1.34 13
  59 2.13 21
  62 0.53 5
  63 3 30
  65 8.57 86
  74 0.85 9
  75 0.92 9
  76 1.04 10
  77 13.08 131
  78 10.99 110
  79 10.39 104
  87 0.59 6
  89 1.66 17
  90 0.35 4
  91 65.34 653
  92 5.42 54
  102 1.32 13
  103 11.05 111
  104 99.99 999
  105 41.51 415
  106 2.91 29
  107 4.14 41
  121 0.99 10
  131 2.76 28
  132 1.14 11
  133 9.76 98
  134 0.98 10
  164 31.66 317
  165 3.47 35
//

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