MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001228
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001228
RECORD_TITLE: PARA-MENTH-2,3-YLENE DIACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: PARA-MENTH-2,3-YLENE DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H24O4
CH$EXACT_MASS: 256.16746
CH$SMILES: CC(=O)OC(C(C)1)C(OC(C)=O)C(C(C)C)CC1
CH$IUPAC: InChI=1S/C14H24O4/c1-8(2)12-7-6-9(3)13(17-10(4)15)14(12)18-11(5)16/h8-9,12-14H,6-7H2,1-5H3
CH$LINK: INCHIKEY
UQPARNPFQUTRPS-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6D
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: splash10-0006-9600000000-56f6818b0ce1050283d5
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
15 1 10
17 1.3 13
27 2 20
28 0.2 2
29 2.7 27
39 1.3 13
41 10 100
42 0.2 2
43 99.99 999
44 3 30
54 1.3 13
55 0.8 8
56 1.3 13
57 3.3 33
67 2.7 27
68 0.13 1
69 8 80
70 2.3 23
71 4.7 47
78 0.1 1
80 2 20
82 5.3 53
83 1.3 13
84 0.3 3
85 9.3 93
86 1.3 13
90 0.7 7
93 0.53 5
94 1.7 17
95 4.3 43
96 1 10
97 0.27 3
105 1 10
107 1.3 13
110 49.7 497
111 1 10
121 6.7 67
136 2 20
137 3 30
138 0.13 1
139 17 170
140 1 10
153 11 110
154 3.77 38
155 4 40
173 4 40
174 12 120
195 0.1 1
196 5 50
197 1.3 13
//
system version 2.2.6-SNAPSHOT