MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005833
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005833
RECORD_TITLE: METHYL CAPROATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: METHYL CAPROATE
CH$NAME: CAPROIC ACID METHYL ESTER
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: 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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00dr-9000000000-6225c83416702a604da1
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
29 2.19 22
41 3.78 38
42 2.18 22
43 31.61 316
44 1.42 14
55 7.84 78
56 1.43 14
57 4.59 46
59 18.27 183
69 3.91 39
70 5.89 59
71 15.47 155
73 2.23 22
74 99.99 999
75 11.13 111
76 1.13 11
83 1.12 11
87 68.44 684
88 8.99 90
97 1.12 11
98 1.22 12
99 37.42 374
100 2.45 25
101 17.76 178
102 1.3 13
130 5.95 60
//
system version 2.2.8-SNAPSHOT