MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001771
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001771
RECORD_TITLE: HEXADECANOIC ACID BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: HEXADECANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H40O2
CH$EXACT_MASS: 312.30283
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
CH$LINK: INCHIKEY
GLYJVQDYLFAUFC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3059395
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9210000000-09fcf01342b9b16080a3
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
18 0.95 10
29 3.68 37
56 99.99 999
57 18.46 185
58 0.23 2
60 13.58 136
61 12.13 121
69 2.82 28
71 7.54 75
73 13.9 139
83 3.62 36
84 3.53 35
85 4.82 48
87 1.9 19
97 4.79 48
98 3 30
99 1.41 14
101 4.88 49
111 1.78 18
115 2.02 20
116 11.73 117
117 5.64 56
129 14.38 144
143 1.09 11
157 1.07 11
171 2.38 24
185 3.62 36
207 0.34 3
208 0.22 2
213 2.64 26
227 0.46 5
239 9.14 91
240 1.06 11
256 5.94 59
257 18.59 186
258 3.29 33
281 0.11 1
312 5.38 54
313 0.97 10
//