MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005162
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005162
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O2
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(C)CCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
CH$LINK: INCHIKEY
MLLAPOCBLWUFAP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8047185
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$SPLASH: splash10-00di-9500000000-4cc153d7dd8ad8fd9da2
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
42 5.21 52
43 2.48 25
55 13.14 131
69 2.28 23
70 99.99 999
71 5.69 57
77 5.64 56
79 1.75 18
105 41.43 414
106 3.6 36
122 5.3 53
123 24.39 244
124 1.95 20
149 0.92 9
192 0.34 3
//