MassBank Record: MSJ00071



 2-Nitrophenyl octyl ether; FAB-BE; MS; Negative; Matrix 2-Nitrophenyl octyl ether 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ00071
RECORD_TITLE: 2-Nitrophenyl octyl ether; FAB-BE; MS; Negative; Matrix 2-Nitrophenyl octyl ether
DATE: 2018.02.01
AUTHORS: , Rika Miyake, Graduate School of Engineering Science, Osaka University
LICENSE: CC BY
COPYRIGHT: Rika Miyake, Graduate School of Engineering Science, Osaka University
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
COMMENT: Sample was injected by flow injection

CH$NAME: 2-Nitrophenyl octyl ether CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C14H21NO3 CH$EXACT_MASS: 251.15214 CH$SMILES: CCCCCCCCOc(c1)c(ccc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C14H21NO3/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3 CH$LINK: CHEMSPIDER 148623 CH$LINK: INCHIKEY CXVOIIMJZFREMM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:169952
AC$INSTRUMENT: JMS-700, JEOL AC$INSTRUMENT_TYPE: FAB-BE AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: LASER Xe 6 keV AC$MASS_SPECTROMETRY: MATRIX 2-Nitrophenyl octyl ether AC$MASS_SPECTROMETRY: RESOLUTION_SETTING 2000 AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 1, 2000
PK$SPLASH: splash10-0uds-4970000000-d01033266488c9603109 PK$NUM_PEAK: 118 PK$PEAK: m/z int. rel.int. 16 9936 13 17 6560 8 25 20192 25 26 26336 33 37 4208 5 38 4096 5 41 10832 14 42 32880 42 46 456448 576 48 4608 6 49 21392 27 50 5952 8 51 4272 5 61 5168 7 62 10960 14 63 8464 11 64 6240 8 65 14560 18 66 4496 6 67 3968 5 70 5104 6 73 10192 13 74 4944 6 75 7472 9 76 4928 6 77 9600 12 78 3984 5 79 9200 12 86 6272 8 89 5632 7 91 35728 45 92 45648 58 93 42016 53 94 5200 7 95 7424 9 104 4608 6 105 11792 15 106 8400 11 107 9360 12 108 68768 87 109 15888 20 110 6816 9 118 5136 6 119 4336 5 120 4544 6 121 19616 25 122 263152 332 123 50416 64 124 8672 11 125 11712 15 127 10432 13 135 6944 9 136 6624 8 137 52048 66 138 791296 999 139 98944 125 140 17696 22 143 4032 5 146 4832 6 148 6976 9 150 4832 6 151 10272 13 152 5536 7 153 64576 82 154 28048 35 155 6016 8 161 4384 6 162 7248 9 163 4448 6 164 6000 8 166 5072 6 169 4688 6 180 3984 5 183 8992 11 185 4688 6 186 3968 5 200 5040 6 219 6928 9 220 4016 5 221 18864 24 222 4816 6 229 4592 6 232 4160 5 233 4400 6 234 10416 13 235 76704 97 236 23792 30 237 8496 11 238 8576 11 248 6160 8 249 16672 21 250 141808 179 251 578880 731 252 175520 222 253 28816 36 254 4208 5 262 4720 6 263 5744 7 264 18336 23 265 8128 10 266 132544 167 267 34688 44 268 14528 18 269 4560 6 277 5168 7 280 5040 6 296 4320 5 297 45200 57 298 11472 14 342 6064 8 371 6912 9 387 7232 9 389 6480 8 486 5360 7 501 10480 13 502 33792 43 503 10544 13 504 4704 6 //