MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009729
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009729
RECORD_TITLE: BENZOIC ACID PENTYL ESTER; EI-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$NAME: BENZOIC ACID PENTYL ESTER
CH$NAME: PENTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O2
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
CH$LINK: INCHIKEY
QKNZNUNCDJZTCH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2051849
AC$INSTRUMENT: HITACHI M-80
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: splash10-05fr-1900000000-60010269841a299a1231
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
41 1.73 17
42 10.03 100
43 2.66 27
55 8.34 83
77 14.29 143
78 1.47 15
79 5.78 58
105 76.28 763
106 6.98 70
122 19.7 197
123 99.99 999
124 7.98 80
135 1.22 12
192 2.72 27
193 0.59 6
//