MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001820
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001820
RECORD_TITLE: PENTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PENTYL BENZOATE
CH$NAME: BENZOIC ACID PENTYL ESTER
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-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05i0-8900000000-2b924112cb980b22a08c
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 3.97 40
29 4.48 45
39 4.03 40
41 9.6 96
42 15.36 154
43 6.33 63
50 4.73 47
51 20.79 208
52 1.34 13
55 20.22 202
69 4.22 42
70 36.98 370
71 2.11 21
76 3.07 31
77 63.98 640
78 5.12 51
79 10.75 108
105 99.99 999
106 8 80
122 17.79 178
123 85.41 854
124 6.4 64
192 1.09 11
//
system version 2.2.8-SNAPSHOT