ACCESSION: MSBNK-MSSJ-MSJ00072
RECORD_TITLE: 2-Nitrophenyl octyl ether; FAB-BE; MS; Positive; 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$LINK: PUBCHEM CID:169952
CH$LINK: COMPTOX DTXSID3068047

AC$INSTRUMENT: JMS-700, JEOL
AC$INSTRUMENT_TYPE: FAB-BE
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
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$SPLASH: splash10-0596-9520000000-600ba2aa97700d917ad1
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
  26 9136 12
  27 105456 138
  28 13520 18
  29 172992 226
  39 109728 144
  40 13024 17
  41 408784 535
  42 39312 51
  43 565824 740
  44 20096 26
  50 10320 14
  51 39872 52
  52 20224 26
  53 45328 59
  54 17184 22
  55 376480 492
  56 51680 68
  57 763664 999
  58 31776 42
  63 24144 32
  64 18400 24
  65 60176 79
  66 22112 29
  67 72928 95
  68 14880 19
  69 394128 516
  70 57056 75
  71 594048 777
  72 34800 46
  73 10448 14
  75 8672 11
  76 10608 14
  77 67072 88
  78 123136 161
  79 89488 117
  80 23920 31
  81 35696 47
  82 14128 18
  83 53600 70
  84 19680 26
  85 9648 13
  89 14656 19
  90 10160 13
  91 42752 56
  92 51728 68
  93 36720 48
  94 163424 214
  95 66320 87
  96 23584 31
  97 10848 14
  103 11856 16
  104 8272 11
  105 38432 50
  106 141184 185
  107 70016 92
  108 51968 68
  109 57264 75
  110 35632 47
  111 118144 155
  112 105680 138
  113 35472 46
  115 18048 24
  116 7856 10
  117 8768 11
  118 9328 12
  119 14896 19
  120 56544 74
  121 20016 26
  122 403920 528
  123 439888 575
  124 250080 327
  125 63840 84
  127 14544 19
  128 10816 14
  131 14848 19
  132 11840 15
  133 25088 33
  134 16128 21
  135 12224 16
  136 22112 29
  137 13904 18
  139 49456 65
  140 628672 822
  141 58528 77
  142 13008 17
  146 12080 16
  147 11008 14
  148 11216 15
  152 59632 78
  153 14624 19
  154 22288 29
  155 10656 14
  156 8224 11
  166 7728 10
  206 30096 39
  217 12608 16
  218 17312 23
  219 9680 13
  220 8672 11
  222 10864 14
  233 9616 13
  234 20928 27
  235 168272 220
  236 117904 154
  237 40656 53
  250 90288 118
  251 108928 142
  252 419232 548
  253 117104 153
  254 21440 28
  264 8720 11
  265 8240 11
  364 8576 11
//