MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003372
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003372
RECORD_TITLE: ISOPROPYL MYRISTATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: ISOPROPYL MYRISTATE
CH$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$LINK: INCHIKEY
AXISYYRBXTVTFY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0026838
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$SPLASH: splash10-0pb9-9320000000-555fda071da050d8d712
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
44 5.1 51
45 5.8 58
54 60.8 608
55 10.8 108
56 60.7 607
57 0.22 2
58 22.2 222
59 78.5 785
60 27 270
67 0.5 5
68 4.3 43
69 23.6 236
70 7.7 77
71 2.86 29
72 2 20
73 34.5 345
74 8.2 82
81 0.55 6
82 3.4 34
83 14.3 143
84 8.2 82
85 1.64 16
87 10.8 108
95 6.1 61
96 2.2 22
97 1.18 12
98 8.7 87
99 5.7 57
101 5.1 51
102 99.99 999
103 12.8 128
109 2.5 25
111 6.5 65
112 0.22 2
113 3.4 34
115 6.5 65
116 2.3 23
125 0.27 3
129 19.2 192
143 5.7 57
157 2.2 22
168 0.22 2
171 4.1 41
185 9.8 98
209 2.2 22
211 3.3 33
212 4.8 48
227 5.1 51
228 64.6 646
229 5.61 56
230 7.7 77
270 12.8 128
271 26 260
272 4 40
//