MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010923
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010923
RECORD_TITLE: 1,3-BENZODIOXOLE-5-METHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 1,3-BENZODIOXOLE-5-METHANOL
CH$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$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0udi-6900000000-383ea5b0110656e05ef3
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
29 4 40
31 2.5 25
38 3.5 35
39 13.4 134
40 4.1 41
50 5 50
51 10.3 103
53 5.5 55
55 2.8 28
61 2.7 27
62 5.7 57
63 10.3 103
64 3.3 33
65 27.7 277
66 10.1 101
67 2.5 25
74 2.4 24
75 7.5 75
76 2.3 23
77 15.5 155
78 1.9 19
79 2 20
91 3.9 39
93 45.3 453
94 15.8 158
95 2.3 23
105 6.8 68
119 2.3 23
121 13.3 133
122 20.6 206
123 21.8 218
124 1.9 19
135 50.9 509
136 5.7 57
149 16.1 161
150 11.7 117
151 39.1 391
152 99.99 999
153 11.9 119
//