MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009528
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
//