MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007564
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007564
RECORD_TITLE: NERYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: NERYL ISOVALERATE
CH$NAME: ISOVALERIC ACID CIS-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H26O2
CH$EXACT_MASS: 238.19328
CH$SMILES: CC(C)=CCCC(C)=CCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9-
CH$LINK: INCHIKEY
SOUKTGNMIRUIQN-ZROIWOOFSA-N
CH$LINK: COMPTOX
DTXSID80884022
AC$INSTRUMENT: HITACHI M-86
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9100000000-3dbb76e3291037535474
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
41 15.01 150
43 3.48 35
57 59.12 591
68 54.55 546
69 99.99 999
80 27.95 280
85 30.85 309
92 9.84 98
93 44.77 448
107 7.04 70
121 24.72 247
123 4.31 43
136 18.12 181
137 4.16 42
//