MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005636
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005636
RECORD_TITLE: ALLYL ANTHRANILATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: ALLYL ANTHRANILATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11NO2
CH$EXACT_MASS: 177.07898
CH$SMILES: C=CCOC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2
CH$LINK: INCHIKEY
UCANFCXAKYMFGA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3024441
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0103-3900000000-12a46495a65d9dee99e0
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 1.16 12
29 1.02 10
39 1.02 10
41 17.86 179
54 1 10
56 14.08 141
65 12.89 129
66 2.3 23
77 1.02 10
78 2.2 22
80 2.62 26
81 2.58 26
91 4.48 45
92 46.42 464
93 27.89 279
94 2.16 22
103 1 10
104 5.1 51
105 1.02 10
118 1.14 11
119 99.99 999
120 88.29 883
121 17.96 180
122 1.2 12
130 17.34 173
131 5.88 59
132 20.04 200
133 3.98 40
158 6.2 62
159 5.42 54
160 1.06 11
177 90.66 907
//