MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005884
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005884
RECORD_TITLE: PIPERONAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PIPERONAL
CH$NAME: 1,3-BENZODIOXOLE-5-CARBALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6O3
CH$EXACT_MASS: 150.03169
CH$SMILES: O=Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
CH$LINK: INCHIKEY
SATCULPHIDQDRE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7025924
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-0f6t-5900000000-deaf6988b3684d4c20e3
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
28 3.99 40
29 6.65 67
37 3.99 40
38 7.32 73
39 7.54 75
49 1.33 13
50 4.66 47
51 4.43 44
52 1.11 11
53 4.88 49
60 1.11 11
61 8.43 84
62 10.2 102
63 27.94 279
64 6.21 62
65 15.96 160
66 2.22 22
74 3.1 31
77 1.11 11
79 1.11 11
91 11.97 120
92 1.55 16
119 7.1 71
120 1.11 11
121 26.16 262
122 2.66 27
149 99.99 999
150 83.37 834
151 7.98 80
//