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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002880

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-JP002880
RECORD_TITLE: 3-PHENYLPROPIONIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udl-6900000000-cfb1ebefaa118add33f2
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 5.43 54
  27 4.27 43
  39 6.75 68
  50 3.8 38
  51 9.95 100
  52 2.77 28
  59 2.13 21
  63 3 30
  65 8.57 86
  77 13.08 131
  78 10.99 110
  79 10.37 104
  91 65.34 653
  92 5.42 54
  103 11.05 111
  104 99.99 999
  105 41.51 415
  106 2.91 29
  107 4.14 41
  131 2.76 28
  133 9.76 98
  164 31.66 317
  165 3.47 35
//

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