MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008839
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008839
RECORD_TITLE: KHUSILAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: KHUSILAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O
CH$EXACT_MASS: 202.13577
CH$SMILES: O=CC(C2)=CC([H])(C(C=C)1)C([H])(C2)C(=C)CC1
CH$IUPAC: InChI=1S/C14H18O/c1-3-12-6-4-10(2)13-7-5-11(9-15)8-14(12)13/h3,8-9,12-14H,1-2,4-7H2/t12-,13+,14+/m0/s1
CH$LINK: INCHIKEY
CYPSKZONDWFFBC-BFHYXJOUSA-N
AC$INSTRUMENT: JEOL JMS-DX-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: splash10-00nf-8900000000-d003875f2762a0f1c0c2
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
39 46.9 469
41 54.93 549
51 20.38 204
52 9.72 97
53 26.6 266
54 13.24 132
55 16.57 166
63 0.86 9
65 26.72 267
66 7.94 79
67 26.98 270
71 6.71 67
77 59.9 599
78 21.03 210
79 76.75 768
80 15.56 156
81 16.5 165
91 99.99 999
92 22.46 225
93 22.32 223
94 5.94 59
103 12 120
104 8.52 85
105 46.97 470
106 9.51 95
107 29.26 293
115 19.54 195
116 8.05 81
117 44.92 449
118 9.23 92
119 39.17 392
120 12.23 122
121 5.9 59
128 13.65 137
129 17.11 171
130 9.41 94
131 35.7 357
132 61.13 611
133 33.9 339
134 11.94 119
141 5.64 56
143 9.49 95
144 5.1 51
145 13.87 139
146 7.04 70
148 8.02 80
155 6 60
156 8.95 90
157 5.94 59
159 31.42 314
160 7.16 72
169 12.21 122
171 6.22 62
173 12.04 120
174 7.47 75
177 20.57 206
184 7.85 79
202 28.26 283
203 1.37 14
//