MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002910
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002910
RECORD_TITLE: METHYL 3-PENTENOATE; 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$NAME: METHYL 3-PENTENOATE
CH$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$LINK: INCHIKEY
KJALUUCEMMPKAC-ONEGZZNKSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9000000000-6076dc2526ce421c1be9
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
15 31.11 311
26 2.73 27
27 24.93 249
28 4.85 49
29 35.68 357
39 17.34 173
41 4.41 44
42 4.66 47
43 6.56 66
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
82 10.38 104
83 8.54 85
114 29.72 297
//
system version 2.2.8-SNAPSHOT