MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007712
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007712
RECORD_TITLE: METHYL HEXADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: METHYL HEXADECANOATE
CH$NAME: METHYL PALMITATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H34O2
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
CH$LINK: CAS
112-39-0
CH$LINK: INCHIKEY
FLIACVVOZYBSBS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4029149
AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-05fr-9000000000-baccd6187fe64ba0fb81
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
40 1.3 13
41 42 420
42 9 90
43 5.74 57
44 3 30
45 1.8 18
53 1.8 18
54 0.21 2
55 30.9 309
56 5.7 57
57 18.7 187
58 0.12 1
59 10.3 103
67 2.7 27
68 1.3 13
69 1.21 12
70 2.2 22
71 4.9 49
73 2.1 21
74 99.99 999
75 17.7 177
76 1 10
81 1.7 17
82 0.07 1
83 5.7 57
84 2.6 26
85 2 20
87 4.95 50
88 4 40
95 1 10
96 0.5 5
97 0.34 3
98 1.5 15
101 3.1 31
111 0.9 9
115 0.11 1
116 0.4 4
129 2.4 24
130 0.5 5
143 0.49 5
144 0.5 5
157 0.5 5
158 0.1 1
171 0.11 1
172 0.2 2
185 1.1 11
186 0.2 2
199 0.1 1
200 0.1 1
213 0.4 4
214 0.1 1
227 0.22 2
228 0.4 4
239 1 10
240 0.2 2
241 0.06 1
242 0.1 1
270 1.5 15
271 0.4 4
//