ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007585
RECORD_TITLE: BENZOIN; 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

CH$NAME: BENZOIN
CH$NAME: 2-HYDROXY-1,2-DIPHENYLETHANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O₂
CH$EXACT_MASS: 212.08373
CH$SMILES: c(c2)ccc(c2)C(O)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
CH$LINK: CAS 119-53-9
CH$LINK: INCHIKEY ISAOCJYIOMOJEB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020144

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-0900000000-b0ec63ecab48679dd41a
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  105 99.99 999
  107 67.43 674
  212 7.08 71
  213 1.27 13
//