MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001779
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001779
RECORD_TITLE: TETRACOSANOIC 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$NAME: TETRACOSANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H56O2
CH$EXACT_MASS: 424.42803
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C28H56O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(29)30-27-6-4-2/h3-27H2,1-2H3
CH$LINK: INCHIKEY
AKFTUIYQTXLHIH-UHFFFAOYSA-N
AC$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$SPLASH: splash10-01b9-9601200000-16a0dcd70b8375107ee0
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
18 13.11 131
43 24.67 247
57 25.69 257
73 31.6 316
116 19.07 191
117 15.68 157
129 27.9 279
141 4.84 48
209 1.99 20
369 14.08 141
424 24.02 240
//