MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001780
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001780
RECORD_TITLE: HEXADECANOIC ACID HEXYL 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$NAME: HEXADECANOIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H44O2
CH$EXACT_MASS: 340.33413
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h3-21H2,1-2H3
CH$LINK: INCHIKEY
IOVYZELOJXWQKD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4068373
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: splash10-01q9-9020000000-df166aec8f02264c7088
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
28 1.82 18
56 11.62 116
60 9.18 92
61 66.93 669
69 1.28 13
71 5.89 59
73 19.27 193
84 99.99 999
85 22.24 222
98 5.98 60
129 11.1 111
141 1.79 18
145 2.31 23
157 4.07 41
207 1.8 18
213 3.17 32
239 7.22 72
256 8.31 83
257 33.05 331
258 4.04 40
340 4.08 41
//