MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007713
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007713
RECORD_TITLE: METHYL HEPTADECANOATE; 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$NAME: METHYL HEPTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O2
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
CH$LINK: CAS
1731-92-6
CH$LINK: INCHIKEY
HUEBIMLTDXKIPR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3061924
AC$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: splash10-05fu-9000000000-4b318e8d7bdffa2b35c9
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
40 1.6 16
41 46.5 465
42 10.1 101
43 6.35 64
44 4.2 42
45 1.9 19
53 1.8 18
54 0.24 2
55 33 330
56 6.3 63
57 20 200
58 0.15 2
59 10.4 104
67 2.8 28
68 1.4 14
69 1.33 13
70 2.6 26
71 5.7 57
73 2.2 22
74 99.99 999
75 19.5 195
76 1.1 11
81 2 20
82 0.1 1
83 7.1 71
84 2.9 29
85 2.5 25
87 5.71 57
88 4.7 47
95 1.5 15
96 0.7 7
97 0.45 5
98 2.1 21
101 3.7 37
111 1.5 15
115 0.13 1
116 0.6 6
129 3.6 36
130 0.8 8
143 0.74 7
144 0.7 7
157 0.9 9
171 0.6 6
185 0.22 2
186 0.4 4
199 2.1 21
200 0.4 4
213 0.05 1
227 0.7 7
241 3.4 34
242 0.6 6
253 0.13 1
255 1 10
284 2.8 28
285 0.6 6
//