MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001785
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001785
RECORD_TITLE: EICOSANOIC ACID HEXYL ESTER; CI-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$NAME: EICOSANOIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H52O2
CH$EXACT_MASS: 396.39673
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26(27)28-25-23-8-6-4-2/h3-25H2,1-2H3
CH$LINK: INCHIKEY
MPLBHUPXLJXOLF-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-01ot-2009000000-4c8e25e08ee9a5848590
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
63 5.46 55
65 5.33 53
66 0.39 4
67 1.36 14
71 7.26 73
73 6.41 64
79 1.8 18
81 2.33 23
83 5.12 51
84 13.94 139
85 15.85 159
285 1.27 13
295 3.76 38
311 2.79 28
312 2.65 27
313 79.27 793
314 18.13 181
395 11.66 117
397 99.99 999
398 23.33 233
399 5.05 51
//