MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008228
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008228
RECORD_TITLE: METHYL 3-PENTENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 3-PENTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O2
CH$EXACT_MASS: 114.06808
CH$SMILES: CC=CCC(=O)OC
CH$IUPAC: InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3-4H,5H2,1-2H3/b4-3+
CH$LINK: CAS
818-58-6
CH$LINK: INCHIKEY
KJALUUCEMMPKAC-ONEGZZNKSA-N
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0a4i-9000000000-e69b78d23732260dfa38
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 31.11 311
16 1.4 14
26 2.73 27
27 24.93 249
28 4.85 49
29 35.68 357
39 17.34 173
40 1.88 19
41 4.41 44
42 4.66 47
43 6.56 66
50 1.74 17
51 2.75 28
53 9.96 100
54 14.53 145
55 99.99 999
56 4.81 48
59 37.93 379
71 3.31 33
72 12.47 125
74 1.66 17
81 1.1 11
82 10.38 104
83 8.54 85
99 1.41 14
114 29.72 297
115 1.97 20
//
system version 2.2.8-SNAPSHOT