MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004580
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004580
RECORD_TITLE: METHYL (Z)-10-PENTADECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL (Z)-10-PENTADECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H30O2
CH$EXACT_MASS: 254.22458
CH$SMILES: CCCCC=CCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h6-7H,3-5,8-15H2,1-2H3/b7-6-
CH$LINK: INCHIKEY
JEDIPLFNJDRCFD-SREVYHEPSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
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: splash10-0awa-9200000000-e19e54480862687b5a6c
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
45 2.63 26
53 7.46 75
54 19 190
55 99.99 999
56 21.51 215
57 12.53 125
59 14.59 146
65 1.88 19
66 1.58 16
67 24.79 248
68 18.12 181
69 52.9 529
70 13.43 134
71 4.78 48
73 5.28 53
74 63.27 633
75 8.11 81
77 1.73 17
79 5.24 52
80 3.55 36
81 23.29 233
82 16.93 169
83 35.43 354
84 30.87 309
85 5.99 60
87 41.53 415
88 4.34 43
91 1.73 17
93 3.02 30
94 3.9 39
95 17.6 176
96 27.75 278
97 28 280
98 23.75 238
99 3.51 35
101 6.74 67
107 2.3 23
108 2.59 26
109 9.56 96
110 15.26 153
111 12.48 125
112 5.04 50
113 3.4 34
114 4.46 45
115 6.86 69
119 2.22 22
121 2.8 28
122 1.71 17
123 11.94 119
124 9.38 94
125 7.73 77
126 1.55 16
127 4.13 41
128 4.18 42
129 3.84 38
133 2.09 21
134 1.41 14
135 2.65 27
137 7.02 70
138 12.55 126
139 5.79 58
141 4.38 44
143 2.46 25
147 1.56 16
149 1.43 14
151 4.14 41
152 4.18 42
153 1.72 17
165 2.37 24
178 3.99 40
179 3 30
180 14.23 142
181 2.82 28
193 1.55 16
222 14.64 146
223 10.36 104
224 1.5 15
254 2.82 28
//
system version 2.2.8-SNAPSHOT