MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008489
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008489
RECORD_TITLE: PENTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: PENTYL BENZOATE
CH$NAME: AMYL 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-80B
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: splash10-05i0-8900000000-90f57fb3ba7dd293673c
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
27 10.14 101
29 9.2 92
39 7.21 72
41 11.85 119
42 12.88 129
43 6.26 63
50 5.16 52
51 19.79 198
52 1.18 12
55 11.38 114
69 2.18 22
70 21.38 214
71 1.16 12
74 1.02 10
75 1.21 12
76 2.54 25
77 54.64 546
78 4.4 44
79 6.83 68
105 99.99 999
106 8.24 82
122 16.79 168
123 73.66 737
124 5.7 57
192 1.23 12
//
system version 2.2.8-SNAPSHOT