MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010889
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010889
RECORD_TITLE: ISOPENTYL 3-METHYLPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ISOPENTYL 3-METHYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCC(C)CC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C11H22O2/c1-5-10(4)8-11(12)13-7-6-9(2)3/h9-10H,5-8H2,1-4H3
CH$LINK: INCHIKEY
JLJJAUHWSQZOJP-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80B
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-9000000000-7e07b3ad8b98eb390408
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
27 10.6 106
29 15.9 159
39 8.7 87
41 26.8 268
42 11.8 118
43 55.9 559
44 1.8 18
45 1.5 15
53 1.9 19
55 24.9 249
56 4.6 46
57 6.6 66
60 4.8 48
61 3 30
69 6 60
70 99.99 999
71 52 520
72 2.8 28
73 1.7 17
87 4.6 46
99 36.6 366
100 2.6 26
101 1.3 13
115 1.6 16
116 1.1 11
117 10.3 103
130 1.2 12
143 1.4 14
//