MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011046
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011046
RECORD_TITLE: 5-BUTYL-1-HYDROXY-8-OXABICYCLO(3.2.1)OCTA-3,6-DIEN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 5-BUTYL-1-HYDROXY-8-OXABICYCLO(3.2.1)OCTA-3,6-DIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O3
CH$EXACT_MASS: 194.09429
CH$SMILES: CCCCC(C=1)(C=2)OC(O)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C11H14O3/c1-2-3-5-10-6-4-9(12)11(13,14-10)8-7-10/h4,6-8,13H,2-3,5H2,1H3
CH$LINK: INCHIKEY
WVIFTNWOWQFOCS-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:14087805
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-6900000000-d6ffad5202760f3b2f78
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
39 11.14 111
41 11.83 118
51 6.6 66
53 9.4 94
55 8.01 80
57 10.47 105
65 4.96 50
67 6.19 62
77 13.98 140
79 13.78 138
81 8.27 83
85 8.14 81
91 6.93 69
95 5.45 55
97 4.83 48
107 99.99 999
108 9.56 96
110 5.57 56
123 5 50
133 5.71 57
134 2.7 27
135 1.59 16
137 3.22 32
138 3.94 39
139 1.39 14
148 1.63 16
149 1.58 16
150 1.64 16
151 12.8 128
152 7.8 78
153 4.02 40
165 1.09 11
166 1.04 10
176 1.13 11
194 1 10
//