MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001319
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001319
RECORD_TITLE: ACETIC ACID OCTYL ESTER; 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$NAME: ACETIC ACID OCTYL ESTER
CH$NAME: OCTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
CH$LINK: INCHIKEY
YLYBTZIQSIBWLI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8044202
AC$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: splash10-052f-9000000000-a81fd8b1966f2694f866
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 2.5 25
27 8 80
28 2.79 28
29 13.36 134
39 5.79 58
41 30.64 306
42 20.86 209
43 99.99 999
44 2.57 26
53 1.29 13
54 2.5 25
55 35.43 354
56 42.14 421
57 14.29 143
58 2.71 27
61 25.36 254
67 2.36 24
68 6.79 68
69 28 280
70 38 380
71 6.86 69
73 6.21 62
82 6.36 64
83 24.21 242
84 27 270
85 1.71 17
97 2.14 21
98 2.07 21
112 7.5 75
116 1.64 16
//