ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009581
RECORD_TITLE: BENZOIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: BENZOIN
CH$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$LINK: INCHIKEY ISAOCJYIOMOJEB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020144

AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-0a6r-6900000000-2f572dbc9a49f3d86fa6
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 2.16 22
  29 1.77 18
  39 2.96 30
  50 4.62 46
  51 17.83 178
  52 2.88 29
  53 1.67 17
  63 1.81 18
  74 1.2 12
  75 1.1 11
  76 1.86 19
  77 56.22 562
  78 9.38 94
  79 38.96 390
  80 2.87 29
  89 1.28 13
  105 99.99 999
  106 13.05 131
  107 71.39 714
  108 6.37 64
  165 1.55 16
  167 1.45 15
  195 6.58 66
  196 1.33 13
  212 4.36 44
  213 2.17 22
//