MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002545
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002545
RECORD_TITLE: N-PROPYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: N-PROPYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCOC(=O)CCC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
HUAZGNHGCJGYNP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6059318
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0076-9000000000-e720d1b1a41e521965bf
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 2.79 28
26 1.85 19
27 27.21 272
28 3.74 37
29 5.47 55
31 6.43 64
39 10.26 103
40 1.85 19
41 27.88 279
42 18.5 185
43 88.46 885
44 2.99 30
45 1.46 15
55 2.22 22
57 1.48 15
59 6.28 63
60 14.59 146
61 10.18 102
71 99.99 999
72 4.88 49
73 9.24 92
87 1.18 12
88 4.94 49
89 65.77 658
90 3.13 31
100 1.16 12
101 5.96 60
102 4.96 50
130 0.32 3
//