MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006423
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006423
RECORD_TITLE: AMYL HEPTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: AMYL HEPTANOATE
CH$NAME: PENTYL HEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O2
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C12H24O2/c1-3-5-7-8-10-12(13)14-11-9-6-4-2/h3-11H2,1-2H3
CH$LINK: INCHIKEY
PSQMUBJRXIGVIT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3064724
AC$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: splash10-006x-9200000000-c427b25d7c4b53e55413
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
27 21 210
29 30.52 305
31 1.4 14
39 12.02 120
41 46.94 469
42 28.63 286
43 99.46 995
44 3.38 34
45 1.97 20
53 2.08 21
54 1.35 14
55 32.93 329
56 5.49 55
57 9.67 97
59 1.04 10
60 19.32 193
61 14.23 142
67 1.27 13
68 2.34 23
69 11.58 116
70 99.99 999
71 17.82 178
73 14.58 146
74 1.62 16
83 4.33 43
84 3.22 32
85 11.02 110
86 1.03 10
87 11.87 119
89 5.3 53
95 1.41 14
101 2.8 28
102 1.65 17
113 53.74 537
114 4 40
115 2.53 25
130 8.83 88
131 66.05 661
132 4.71 47
143 1.03 10
//