MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008154
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008154
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-4900000000-70cd469c29d2482d95f0
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
26 1 10
27 1.3 13
28 3.8 38
29 5 50
37 3 30
38 5 50
39 7.2 72
40 1 10
41 1.8 18
42 1 10
43 1 10
45 2.8 28
50 4 40
51 5.5 55
52 3 30
53 6 60
55 1 10
57 7.2 72
60 2.7 27
61 4 40
62 10.5 105
63 21.8 218
64 3 30
65 12 120
66 1 10
69 5.8 58
74 9 90
79 2 20
80 1 10
81 3.5 35
82 1 10
83 1 10
91 8.8 88
92 1.2 12
93 1 10
119 14.3 143
120 2.5 25
121 13.2 132
122 1 10
149 32 320
150 4 40
165 94 940
166 99.99 999
167 9.5 95
168 1.5 15
//