MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006217
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006217
RECORD_TITLE: PENTYL DECANOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: PENTYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H30O2
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY
BGYFCELTJPRWBA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00208064
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0006-0590000000-b159d4e6903d8e8e7787
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
84 1.51 15
85 2.17 22
87 1.19 12
95 1.36 14
115 2.15 22
129 1.55 16
130 2.14 21
153 3.26 33
155 15.68 157
156 1.74 17
171 5.34 53
172 2.68 27
173 43.45 435
174 4.74 47
213 2 20
241 5.62 56
242 2.51 25
243 99.99 999
244 16.77 168
245 1.62 16
//