ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009528
RECORD_TITLE: PIPERONYLIC ACID-2,2-D2; 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$NAME: PIPERONYLIC ACID-2,2-D2
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆O₄
CH$EXACT_MASS: 166.02661
CH$SMILES: OC(=O)c(c2)cc(O1)c(c2)OC([2H])([2H])1
CH$IUPAC: InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)/i4D2
CH$LINK: INCHIKEY VDVJGIYXDVPQLP-APZFVMQVSA-N

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$SPLASH: splash10-014i-0900000000-7a656232e76ad9e209c7
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  28 1.6 16
  30 1.5 15
  52 1.8 18
  63 3 30
  64 1 10
  66 2.4 24
  67 4 40
  68 1 10
  69 1 10
  82 1.8 18
  83 1 10
  91 3.8 38
  119 8 80
  120 2.6 26
  121 1 10
  122 2.8 28
  123 8.2 82
  124 1 10
  149 1 10
  150 6 60
  151 27.3 273
  152 3.4 34
  165 8 80
  166 68 680
  167 30 300
  168 99.99 999
  169 12.5 125
  170 1.5 15
//