MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006870
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006870
RECORD_TITLE: PIPERONYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PIPERONYL ALCOHOL
CH$NAME: 3,4-METHYLENEDIOXYBENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: OCc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2
CH$LINK: INCHIKEY
BHUIUXNAPJIDOG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3060089
AC$INSTRUMENT: HITACHI M-80B
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: splash10-0udu-9700000000-26874537cce305fbbfb1
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
26 1.51 15
27 3.46 35
29 11.22 112
30 1.68 17
31 5.9 59
37 2.23 22
38 5.26 53
39 23.53 235
40 3.73 37
41 2.07 21
42 1.37 14
43 1.05 11
50 9.15 92
51 15.87 159
52 2.29 23
53 6.9 69
55 3.56 36
61 3.15 32
62 6.62 66
63 17.58 176
64 4 40
65 44.66 447
66 14.91 149
67 3.13 31
74 2.59 26
75 5.13 51
76 2.74 27
77 19.19 192
78 2.23 22
79 2.92 29
81 1.05 11
91 2.27 23
93 52.28 523
94 21.57 216
95 3.25 33
105 5.27 53
121 13.77 138
122 21.86 219
123 22.6 226
124 1.7 17
135 48.07 481
136 3.47 35
149 4.56 46
150 1.71 17
151 32.81 328
152 99.99 999
153 7.7 77
//