MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007102
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007102
RECORD_TITLE: ISOPROPYL MYRISTATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ISOPROPYL MYRISTATE
CH$NAME: ISOPROPYL TETRADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H34O2
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
CH$LINK: CAS
110-27-0
CH$LINK: INCHIKEY
AXISYYRBXTVTFY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0026838
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-01ox-9210000000-fe05458ea214ddbf37c9
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
27 11.02 110
29 16.82 168
39 7.02 70
41 47.52 475
42 15.64 156
43 99.99 999
44 2.64 26
45 3.32 33
53 2.05 21
54 2.81 28
55 33.01 330
56 10.13 101
57 38.82 388
58 2.13 21
59 16.09 161
60 56.08 561
61 15.04 150
67 3.64 36
68 2.53 25
69 19.04 190
70 5.45 55
71 19.19 192
72 1.08 11
73 26.26 263
74 2.94 29
81 3.47 35
82 2.02 20
83 12.2 122
84 7.29 73
85 12.71 127
87 7.21 72
95 2.94 29
96 1.67 17
97 8.98 90
98 8.26 83
99 3.19 32
101 3.24 32
102 58.01 580
103 8.1 81
109 1.71 17
111 4.2 42
112 1.86 19
113 1.71 17
115 4.07 41
116 1.25 13
125 2.38 24
129 13.24 132
130 1.3 13
139 1.13 11
143 2.62 26
157 1 10
166 1.26 13
168 1.26 13
171 2.25 23
185 8.12 81
199 1.29 13
211 21.38 214
212 2.71 27
228 34.84 348
229 23.87 239
230 3.09 31
270 1.23 12
//