ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008155
RECORD_TITLE: PIPERONYLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: PIPERONYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆O₄
CH$EXACT_MASS: 166.02661
CH$SMILES: OC(=O)c(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
CH$LINK: CAS 94-53-1
CH$LINK: INCHIKEY VDVJGIYXDVPQLP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059104

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 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-2900000000-4390b1bdc5917c5f26fc
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  28 2.2 22
  29 3.9 39
  39 1.3 13
  40 1 10
  52 2.8 28
  53 1.6 16
  57 5.4 54
  63 5 50
  64 1.6 16
  65 11.8 118
  66 2 20
  69 1 10
  79 1 10
  80 1 10
  81 3.8 38
  82 1.7 17
  91 4.3 43
  93 1 10
  109 1 10
  119 10.6 106
  120 2 20
  121 11 110
  122 1.2 12
  137 1 10
  149 25.3 253
  150 4.2 42
  165 67 670
  166 99.99 999
  167 10.5 105
  168 1 10
//