MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007587

ORTHO-TOLYL BENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007587
RECORD_TITLE: ORTHO-TOLYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: ORTHO-TOLYL BENZOATE
CH$NAME: BENZOIC ACID 2-METHYLPHENYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O₂
CH$EXACT_MASS: 212.08373
CH$SMILES: Cc(c2)c(ccc2)OC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O2/c1-11-7-5-6-10-13(11)16-14(15)12-8-3-2-4-9-12/h2-10H,1H3
CH$LINK: INCHIKEY YPMKPCAILYDVBN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30210695

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-4900000000-c5e0a50126b46f2ea7b8
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  27 2.41 24
  28 4.59 46
  39 2.8 28
  50 2.95 30
  51 9.23 92
  77 30.95 310
  78 3.12 31
  105 99.99 999
  106 9.09 91
  212 5.2 52
  213 1.2 12
//