MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009224
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009224
RECORD_TITLE: PENTYL LACTATE; 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$NAME: PENTYL LACTATE
CH$NAME: AMYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O3
CH$EXACT_MASS: 160.10994
CH$SMILES: CCCCCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C8H16O3/c1-3-4-5-6-11-8(10)7(2)9/h7,9H,3-6H2,1-2H3
CH$LINK: INCHIKEY
GXOHBWLPQHTYPF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70858752
AC$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: splash10-0005-9000000000-b2b013676cb89ef5f7b1
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
15 1.5 15
19 1.5 15
27 12.9 129
29 1.05 11
31 1.2 12
39 5.2 52
41 13.7 137
42 0.73 7
43 43.9 439
44 2.6 26
45 99.99 999
46 0.21 2
55 8 80
56 1.7 17
63 1 10
69 0.15 2
70 13.8 138
71 10.7 107
75 2.4 24
85 0.23 2
91 1.6 16
99 1.5 15
//
system version 2.2.8-SNAPSHOT