MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005169
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005169
RECORD_TITLE: PENTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00di-3900000000-d07175ff81e07a326beb
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
41 1.09 11
42 10.65 107
43 2.4 24
55 8.63 86
69 2.51 25
70 31.57 316
71 1.85 19
77 8.73 87
78 1.09 11
79 4.25 43
105 62.22 622
106 5.62 56
122 18.28 183
123 99.99 999
124 7.64 76
135 1.42 14
192 6.06 61
193 0.98 10
//
system version 2.2.8-SNAPSHOT