MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009891
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009891
RECORD_TITLE: METHYL 8-HYDROXY-5-METHYL-4-DECENOATE; 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$NAME: METHYL 8-HYDROXY-5-METHYL-4-DECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O3
CH$EXACT_MASS: 214.15689
CH$SMILES: CCC(O)CCC(C)=CCCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O3/c1-4-11(13)9-8-10(2)6-5-7-12(14)15-3/h6,11,13H,4-5,7-9H2,1-3H3/b10-6+
CH$LINK: INCHIKEY
PAFTXKVWUFSNKO-UXBLZVDNSA-N
AC$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: splash10-053u-9300000000-a811f75917e3a09af57e
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
27 10.8 108
29 13.2 132
31 30 300
39 13.4 134
41 35.8 358
42 4.7 47
43 32 320
44 4.3 43
45 8.2 82
53 14.8 148
54 4 40
55 45.2 452
56 5 50
57 12.8 128
59 32 320
65 3.7 37
67 35.8 358
68 14 140
69 32.5 325
70 8.8 88
71 5.3 53
72 21 210
73 4.7 47
74 25.6 256
77 7.3 73
79 26.7 267
80 17.2 172
81 99.99 999
82 44.6 446
83 31 310
85 14.7 147
87 13.5 135
91 5.7 57
93 72 720
94 21 210
95 28.6 286
96 14.7 147
97 8.2 82
98 16.5 165
99 15.3 153
107 24 240
108 18.2 182
109 19.6 196
110 5.7 57
111 34.8 348
112 5.3 53
122 8.3 83
123 26.6 266
124 20.8 208
125 23.5 235
127 3.8 38
135 18.6 186
136 5.6 56
140 30.2 302
141 6 60
142 8.7 87
143 23.6 236
147 4 40
153 9 90
156 17.8 178
165 4.5 45
167 5.2 52
//