MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006242
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006242
RECORD_TITLE: METHYL CAPROATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: METHYL CAPROATE
CH$NAME: METHYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCC(=O)OC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
CH$LINK: CAS
106-70-7
CH$LINK: INCHIKEY
NUKZAGXMHTUAFE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0047616
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00dl-9000000000-8b4e4b7f45f5daa26918
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
38 0.25 3
39 7.54 75
40 1.96 20
41 31.37 314
42 11.49 115
43 46.86 469
44 2.11 21
45 2.27 23
51 0.28 3
52 0.13 1
53 1.34 13
54 0.59 6
55 13.8 138
56 2.29 23
57 4.28 43
58 0.37 4
59 19.63 196
60 0.74 7
61 0.3 3
67 0.4 4
68 0.35 4
69 3.16 32
70 3.53 35
71 9.07 91
72 0.55 6
73 1.4 14
74 99.99 999
75 5.01 50
76 0.49 5
83 0.58 6
87 28.7 287
88 3.83 38
89 0.28 3
97 0.53 5
98 0.51 5
99 17.65 177
100 1.13 11
101 7.15 72
102 0.49 5
130 0.59 6
131 0.43 4
//
system version 2.2.8-SNAPSHOT